2-甲基磺酰基-5,6-二氢-4H-1,3-噻嗪 | 58842-19-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻嗪类
• 中文名称: 2-甲基磺酰基-5,6-二氢-4H-1,3-噻嗪
• 中文别名: 5,6-二氢-2-(甲基磺酰)-4H-1,3-噻嗪
• 英文名称: 5,6-dihydro-2-(methylthio)-4H-1,3-thiazine
• 英文别名: 2-(methylsulfanyl)-5,6-dihydro-4H-1,3-thiazine；2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine
• CAS: 58842-19-6
• 化学式: C₅H₉NS₂
• mdl: MFCD03783560
• 分子量: 147.265
• InChiKey: FLLBHYISJYFGJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  63
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S36/37
• 危险类别码：
  R20/21/22
• 海关编码：
  2934999090

SDS

Name:	2-(Methylsulfanyl)-5 6-dihydro-4H-1 3-thiazine 97% Material Safety Data Sheet
Synonym:
CAS:	58842-19-6

Section 1 - Chemical Product MSDS Name:2-(Methylsulfanyl)-5 6-dihydro-4H-1 3-thiazine 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
58842-19-6	2-(Methylsulfanyl)-5,6-dihydro-4H-1,3-	97%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. May cause respiratory tract irritation.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 58842-19-6: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 79 - 80 deg C
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C5H9NS2
Molecular Weight: 147.25

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Not available.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 58842-19-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(Methylsulfanyl)-5,6-dihydro-4H-1,3-thiazine - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 58842-19-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 58842-19-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 58842-19-6 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-甲基磺酰基-5,6-二氢-4H-1,3-噻嗪 在 一水合肼 作用下， 生成 [1,3]thiazinan-2-one hydrazone
  参考文献：
  名称：

  Bhandari,K. et al., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1979, vol. 17, p. 104 - 106

  摘要：

  DOI：
• 作为产物：
  描述：

  1,3-噻嗪-2-硫酮 、 碘甲烷 以 乙醇 为溶剂， 反应 1.0h， 生成 2-甲基磺酰基-5,6-二氢-4H-1,3-噻嗪
  参考文献：
  名称：

  [EN] N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE
  [FR] COMPOSÉS D'ACIDES AMINÉS N-ACYLE ET MÉTHODES D'UTILISATION

  摘要：

  该发明涉及式(I)的化合物或其盐，其中R1、A、L、R2和n如本文所述。式(I)的化合物及其药物组成物是ανβ1整合素抑制剂，可用于治疗特定组织纤维化。

  公开号：

  WO2018049068A1

文献信息

• [EN] MUSCARINIC AGONISTS<br/>[FR] AGONISTES MUSCARINIQUES
  申请人：LILLY CO ELI

  公开号：WO2004094382A1

  公开（公告）日：2004-11-04

  The present invention relates to compounds of Formula (I): which are agonists of the M-1 muscarinic receptor.

  本发明涉及以下式（I）的化合物，它们是M-1肌胆碱受体的激动剂。
• AMINO ACIDS: X. PREPARATION AND CHEMISTRY OF 2-(ω-CARBOXYALKYLAMINO)-DIHYDROTHIAZINES, -TETRAHYDROPYRIMIDINES, AND -IMIDAZOLINES
  作者：A. F. McKay、M.-E. Kreling

  DOI：10.1139/v62-035

  日期：1962.2.1

  The preparation and properties of 3-keto-1,2,5,6-tetrahydro-3(H)-imidazo(1,2-a)imidazole, 3-keto-1,2,6,7-tetrahydro-3(H),5(H)-imidazo(1,2-a)pyrimidine, and 4-keto-2,3,6,7,8,9-hexahydro-4(H)-pyrimido(1,2-a)pyrimidine are described. The first two bicyclic systems possess active methylene groups in position 2 and they are oxidized to indigo-type dyes.

  3-酮-1,2,5,6-四氢-3(H)-咪唑并(1,2-a)咪唑、3-酮-1,2,6,7-四氢-3( H),5(H)-imidazo(1,2-a)pyrimidine, 和 4-keto-2,3,6,7,8,9-hexahydro-4(H)-pyrimido(1,2-a)嘧啶进行了描述。前两个双环系统在 2 位具有活性亚甲基，它们被氧化成靛蓝型染料。
• Tetrahydro-2-(nitromethylene)-2H-1,3-thiazine insect control agents
  申请人：Shell Oil Company

  公开号：US04065560A1

  公开（公告）日：1977-12-27

  Novel insecticidal tetrahydro-2-(nitromethylene)-2H-1,3-thiazines.

  新颖的杀虫噻唑类化合物tetrahydro-2-(nitromethylene)-2H-1,3-thiazines。
• Tetrahydro-2-(nitromethylene)-2H-1,3-thiazines
  申请人：Shell Oil Company

  公开号：US03993648A1

  公开（公告）日：1976-11-23

  Novel insecticidal tetrahydro-2-(nitromethylene)-2H-1,3-thiazines.

  新型杀虫剂四氢-2-(硝基甲烯基)-2H-1,3-噻唑。
• Synthesis of Some New Pyrido[4′,3′:4,5]thieno[2,3-d]pyrimidines and Related Fused Heterocycles
  作者：Essam Kh. Ahmed

  DOI：10.1080/10426500307772

  日期：2003.1.1

  A highly efficient and versatile synthetic approach to the synthesis of pyrido[4',3':4,5]thieno[2,3-d]pyrimidines ( 3 , 7a-c ), pyrido[4',3':4,5]thieno[2,3-d][1,3]thiazolo[3,2-a]pyrimidines ( 8 , 10-12 ), ( 15 , 16 ), pyrido[4",3":4',5']thieno[2',3':4,5]pyrimido[2,1-b][1,3]thiazine ( 9 ), and polymethylene condensed (e.g., pyrrolo-, piperidino-, azepino-)pyridothienopyrimidines ( 18a-c ) is described

  一种合成吡啶并[4',3':4,5]噻吩并[2,3-d]嘧啶(3,7a-c)、吡啶并[4',3':4, 5]噻吩并[2,3-d][1,3]噻唑并[3,2-a]嘧啶 (8, 10-12), (15, 16), pyrido[4",3":4',5 ']噻吩并[2',3':4,5]嘧啶并[2,1-b][1,3]噻嗪（9）和聚亚甲基缩合（例如吡咯-、哌啶-、氮杂-）吡啶并噻吩并嘧啶（18a） -c)描述了使用2-氨基-4,5,6,7-四氢噻吩并[2,3-c]吡啶-3,6-二羧酸二乙酯1作为原料。