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1-甲基环戊烷硫醇 | 1638-95-5

中文名称
1-甲基环戊烷硫醇
中文别名
——
英文名称
1-Methyl-cyclopentanthiol
英文别名
1-methyl-cyclopentanethiol;1-Mercapto-1-methyl-cyclopentan;1-Methylcyclopentanethiol;1-methylcyclopentane-1-thiol
1-甲基环戊烷硫醇化学式
CAS
1638-95-5
化学式
C6H12S
mdl
——
分子量
116.227
InChiKey
XJWBHFDHEOPYNK-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    2
  • 重原子数:
    7
  • 可旋转键数:
    0
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    1.0
  • 拓扑面积:
    1
  • 氢给体数:
    1
  • 氢受体数:
    1

安全信息

  • 海关编码:
    2930909090

SDS

SDS:83c66653df7eafa401f483226a70907e
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反应信息

  • 作为反应物:
    描述:
    1-甲基环戊烷硫醇1-氯-2,4-二硝基苯 生成 (2,4-dinitro-phenyl)-(1-methyl-cyclopentyl)-sulfide
    参考文献:
    名称:
    研究甲基环戊烷系列;甲基环戊基一氯化物的制备及反应。
    摘要:
    DOI:
    10.1021/ja01192a047
  • 作为产物:
    描述:
    1-甲基环戊烯 在 cobalt-polysulfide 、 硫化氢 作用下, 生成 1-甲基环戊烷硫醇
    参考文献:
    名称:
    研究甲基环戊烷系列;甲基环戊基一氯化物的制备及反应。
    摘要:
    DOI:
    10.1021/ja01192a047
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文献信息

  • Quinoxalin-2-one derivatives, compositions which protect useful plants and comprise these derivatives, and processes for their preparation and their use
    申请人:Schaper Wolfgang
    公开号:US20050256000A1
    公开(公告)日:2005-11-17
    Compounds of the formula (I) and salts thereof in which X is O or S; (Y) n =n substituents Y, n is 0, 1, 2, 3 or 4, R 1 is H, OH, NH 2 , (C 1 -C 4 )-alkylamino, di-[(C 1 -C 4 )-alkyl]amino or optionally substituted (C 1 -C 10 )-alkyl, (C 3 -C 10 )-alkenyl, (C 3 -C 10 )-alkynyl or (C 1 -C 10 )-alkoxy, (C 3 -C 10 )-cycloalkyl, (C 4 -C 10 )-cycloalkenyl, aryl or heterocyclyl, R 2 is H or optionally substituted (C 1 -C 10 )-alkyl, (C 3 -C 10 )-alkenyl, (C 3 -C 10 )-alkynyl, (C 3 -C 10 )-cycloalkyl, (C 4 -C 10 )-cycloalkenyl, aryl or heterocyclyl, where the radicals Y are as defined in claim 1 are suitable for use as safeners for crop plants or useful plants against the phytotoxic actions of agrochemicals such as pesticides in these plants.
    该式(I)的化合物及其盐,其中X为O或S;(Y)n=n取代基Y,n为0、1、2、3或4,R1为H、OH、NH2、(C1-C4)-烷基氨基、二-[(C1-C4)-烷基]氨基或可选择取代的(C1-C10)-烷基、(C3-C10)-烯基、(C3-C10)-炔基或(C1-C10)-烷氧基、(C3-C10)-环烷基、(C4-C10)-环烯基、芳基或杂环烷基,R2为H或可选择取代的(C1-C10)-烷基、(C3-C10)-烯基、(C3-C10)-炔基、(C3-C10)-环烷基、(C4-C10)-环烯基、芳基或杂环烷基,其中所述的基Y如权利要求1所定义的适用于作为作物植物或有用植物的安全剂,用于抵抗这些植物中农药等农药的植物毒性作用。
  • Heterocyclic amides, a process for their preparation, compositions comprising them and their use
    申请人:——
    公开号:US20040006047A1
    公开(公告)日:2004-01-08
    What is described are amides of the formula (I) and salts thereof, 1 where the symbols and indices are as defined below: X is CH or N; Y is O or S; n is 0 or 1; R 1 is (C 1 -C 4 )-haloalkyl; R 2 , R 3 independently of one another are hydrogen, (C 1 -C 4 )-alkyl, (C 1 -C 4 )-haloalkyl or halogen, R 4 is hydrogen, (C 1 -C 10 )-alkyl, (C 3 -C 10 )-cycloalkyl, (C 3 -C 10 )-alkenyl or (C 3 -C 10 )-alkynyl, where in the alkyl, cycloalkyl, alkenyl or alkynyl groups mentioned up to three hydrogen atoms may be replaced by halogen, in the case of fluorine also up to the maximum number; R 5 is an aliphatic heterocycle which contains at least one oxygen, sulfur, nitrogen and/or silicon ring atom, which is unsubstituted or substituted by one to six monovalent groups and which may be part of a spirocyclic, fused or bicyclic ring system. These compounds can be used for controlling pests.
    描述的是化合物(I)及其盐的酰胺,其中符号和指数定义如下:X为CH或N;Y为O或S;n为0或1;R1为(C1-C4)-卤代烷基;R2,R3分别为氢,(C1-C4)-烷基,(C1-C4)-卤代烷基或卤素;R4为氢,(C1-C10)-烷基,(C3-C10)-环烷基,(C3-C10)-烯基或(C3-C10)-炔基,其中在所述烷基,环烷基,烯基或炔基中最多三个氢原子可被卤素取代,对于氟也可达到最大数量;R5是含有至少一个氧,硫,氮和/或硅环原子的脂肪杂环,该环原子未取代或被一到六个一价基团取代,并且可能是螺环,融合环或双环系统的一部分。这些化合物可用于控制害虫。
  • A facile synthesis of trimethylsilyl thioethers
    作者:Richard S. Glass
    DOI:10.1016/s0022-328x(00)86537-7
    日期:1973.11
    Imidazole catalyzes the reaction of thiols with hexamethyldisilazane. This procedure affords a convenient method for the synthesis of trimethylsilyl thioethers. Some aspects of the mechanism of this reaction are discussed.
    咪唑催化硫醇与六甲基二硅氮烷的反应。该程序提供了合成三甲基甲硅烷基硫醚的简便方法。讨论了该反应机理的一些方面。
  • NAPHTHALOCYANINE COMPOUND, METHOD FOR PRODUCING SAME, AND USE THEREOF
    申请人:YAMAMOTO CHEMICALS, INC.
    公开号:US20210107924A1
    公开(公告)日:2021-04-15
    Provided are a novel naphthalocyanine compound, which has strong absorption in a near-infrared range, extremely weak absorption in a visible range, and high resistance such as light resistance and heat resistance, and exhibits excellent solubility in an organic solvent or a resin, a heat ray shielding material, and uses of the naphthalocyanine compound such as a heat ray shielding material and the like. The naphthalocyanine compound is represented by General Formula (1). wherein, in Formula (1), M represents two hydrogen atoms, a divalent metal, or a derivative of a trivalent or tetravalent metal, R 1 to R 3 each independently represent a hydrogen atom, a halogen atom, or a linear, branched, or cyclic alkyl group, A represents Formula (2), and B represents Formula (3), wherein, in Formula (2), R 4 to R 8 each independently represent a hydrogen atom, a halogen atom, an alkyl group, an alkoxy group, an alkylthio group, an aryloxy group, or an arylthio group, and wherein, in Formula (3), X represents an oxygen atom, a sulfur atom, and or an imino group, R 9 to R 13 each independently represent a hydrogen atom, a halogen atom, an alkyl group, an alkoxy group, an ester group, an amide group, or a sulfonamide group.
    提供了一种新型萘酞菁化合物,它在近红外范围内具有强烈的吸收能力,在可见光范围内具有极弱的吸收能力,并具有高耐光性和耐热性,并在有机溶剂或树脂中表现出优异的溶解性能,可用作热辐射屏蔽材料,以及该萘酞菁化合物的用途,例如热辐射屏蔽材料等。该萘酞菁化合物由通式(1)表示。在式(1)中,M代表两个氢原子、二价金属或三价或四价金属的衍生物,R1至R3各自独立地表示氢原子、卤素原子或线性、支链或环烷基,A代表式(2),B代表式(3),在式(2)中,R4至R8各自独立地表示氢原子、卤素原子、烷基、烷氧基、烷硫基、芳氧基或芳硫基,在式(3)中,X表示氧原子、硫原子或亚胺基,R9至R13各自独立地表示氢原子、卤素原子、烷基、烷氧基、酯基、酰胺基或磺酰胺基。
  • Heterocyclic amides, method for the production thereof, substances containing said heterocyclic amides, and use thereof as pesticides
    申请人:Schaper Wolfgang
    公开号:US20060173022A1
    公开(公告)日:2006-08-03
    Amides of the formula (I) and salts thereof wherein: A is CH or N; Y is O or S; n is 0 or 1; R 1 is (C 1 -C 4 )-haloalkyl; R 2 and R 3 are identical or different and are hydrogen, (C 1 -C 4 )-alkyl, (C 1 -C 4 )-haloalkyl or halogen; R 4 is hydrogen, (C 1 -C 10 )-alkyl, (C 3 -C 10 )-cycloalkyl, (C 3 -C 10 )-alkenyl or (C 3 -C 10 )-alkynyl, where in the alkyl, cycloalkyl, alkenyl or alkynyl groups mentioned up to three hydrogen atoms may be replaced by halogen, preferably fluorine or chlorine, in the case of fluorine also up to the maximum number; R 5 is G 1 SR 6 , G 1 S(O)R 7 , G 1 S(O) 2 R 8 , G 1 OR 9 , G 1 NR 10 R 11 , G 2 CR 12 ═NOR 13 , G 1 ON═CR 14 R 15 , G 2 CR 12 ═N—NR 16 R 17 , G 1 NR 13 N═CR 14 R 15 , G 1 NR 18 NR 19 R 20 , G 1 ONR 21 R 22 , G 1 NR 23 OR 24 , G 2 CR 10 ═N (+) (O (−) )R 12 , R 25 or G 1 R 26 ; G 1 is a straight-chain or branched (C 2 -C 6 )-alkylene moiety, the distance between the amide nitrogen and the radical R 5 being at least C 2 ; G 2 is a straight-chain or branched (C 1 -C 6 )-alkylene moiety and R 6 to R 26 are as defined in the description; are suitable for controlling pests.
    公式(I)的酰胺及其盐,其中:A为CH或N;Y为O或S;n为0或1;R1为(C1-C4)卤代烷基;R2和R3相同或不同,为氢,(C1-C4)烷基,(C1-C4)卤代烷基或卤素;R4为氢,(C1-C10)烷基,(C3-C10)环烷基,(C3-C10)烯基或(C3-C10)炔基,在所述烷基,环烷基,烯基或炔基中,最多可有三个氢原子被卤素替换,优选为氟或氯,对于氟,也可以替换到最大数量;R5为G1SR6,G1S(O)R7,G1S(O)2R8,G1OR9,G1NR10R11,G2CR12═NOR13,G1ON═CR14R15,G2CR12═N—NR16R17,G1NR13N═CR14R15,G1NR18NR19R20,G1ONR21R22,G1NR23OR24,G2CR10═N(+)(O(−))R12,R25或G1R26;G1为直链或支链(C2-C6)-亚烷基,酰胺氮与基团R5之间的距离至少为C2;G2为直链或支链(C1-C6)-亚烷基,R6到R26如描述中所定义;适用于控制害虫。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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mass
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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