3-phenyl-1,2,4-thiadiazole-5(4H)-thione | 20069-34-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-phenyl-1,2,4-thiadiazole-5(4H)-thione
• 英文别名: 3-phenyl-2H-1,2,4-thiadiazole-5-thione
• CAS: 20069-34-5
• 化学式: C₈H₆N₂S₂
• mdl: MFCD00086459
• 分子量: 194.281
• InChiKey: NAKQCFRTJSBUPT-UHFFFAOYSA-N

物化性质

• 熔点：
  172 °C
• 沸点：
  298.8±23.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  81.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-phenyl-1,2,4-thiadiazole-5(4H)-thione 在 potassium carbonate 作用下， 以 水 为溶剂， 反应 2.0h， 生成 4-methyl-3-phenyl-4H-[1,2,4]thiadiazol-5-one hydrazone
  参考文献：
  名称：

  Huenig,S.; Oette,K.H., Justus Liebigs Annalen der Chemie, 1961, vol. 641, p. 94 - 103

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 生成 3-phenyl-1,2,4-thiadiazole-5(4H)-thione
  参考文献：
  名称：

  Crayen, Chemische Berichte, 1891, vol. 24, p. 390

  摘要：

  DOI：

文献信息

• [EN] NEMATICIDAL DIFLUOROALKENES<br/>[FR] DIFLUOROALCENES NEMATICIDES
  申请人：BAYER CROPSCIENCE AG

  公开号：WO2005026139A1

  公开（公告）日：2005-03-24

  The invention relates to a compound of the formula (I) wherein R represents hydrogen, halogen, alkyl, cycloalkyl, alkoxyalkyl, alkylthioalkyl, haloalkyl, alkoxy, alkylthio, represents optionally substituted phenyl or benzyl, or represents optionally substituted heteroaryl containing at least one heteroatom selected from N, O and S, m represents 3, 4, 5, 6, 7, 8, 9 or 10, and n represents 0, 1 or 2, a process for preparing said compound, compositions comprising said compound and its use for combating pests.

  该发明涉及一种化合物，其化学式为（I），其中R代表氢、卤素、烷基、环烷基、烷氧基烷基、烷硫基烷基、卤代烷基、烷氧基、烷硫基，或者代表可选择取代的苯基或苄基，或者代表至少含有一个来自N、O和S的杂原子的可选择取代的杂芳基，m代表3、4、5、6、7、8、9或10，n代表0、1或2，一种制备该化合物的方法，包含该化合物的组合物以及其用于防治害虫的用途。
• [EN] INHIBITION OF MYCOBACTERIAL TYPE VII SECRETION<br/>[FR] INHIBITION DE LA SÉCRÉTION MYCOBACTÉRIENNE DE TYPE VII
  申请人：STICHTING VUMC

  公开号：WO2021040519A1

  公开（公告）日：2021-03-04

  The invention relates to compounds and pharmaceutically acceptable salts thereof, and to their medical use. Exemplary medical uses are the prevention and treatment of a bacterial infection, for example, a mycobacterial infection, such as a Mycobacterium tuberculosis infection, e.g., in a respiratory system and/or extrapulmonic. The invention further relates to a use of such compounds, pharmaceutically acceptable salts thereof or prodrugs of the compounds as chemotherapeutic agents. Also, the invention relates to a use of such compounds, pharmaceutically acceptable salts thereof or prodrugs of the compounds for inhibiting mycobacterial type VII secretion. The compounds have the following formula (Ia), wherein Q and X are, respectively, CH and C, CR2 and C, CH and N, CR2 and N, or N and C; R1 is hydrogen, halide or optionally substituted linear or branched alkoxy having 1 or 2 carbon atoms; R2 is independently selected from hydrogen, halide or optionally substituted linear or branched alkoxy having 1 or 2 carbon atoms, and R3 is optionally substituted linear or branched alkoxy having 1-6 carbon atoms, haloalkyl having 1-6 carbon atoms, n-propyl, 2-propenyl, 2-propynyl, or n-pentyl, or a pharmaceutically acceptable salt of the compound, for use in the prevention or treatment of a bacterial infection.

  该发明涉及化合物及其药用盐，以及它们的医学用途。示例医学用途包括预防和治疗细菌感染，例如分枝杆菌感染，如结核分枝杆菌感染，例如在呼吸系统和/或肺外。该发明还涉及将这些化合物、其药用盐或这些化合物的前体用作化疗药物。此外，该发明涉及将这些化合物、其药用盐或这些化合物的前体用于抑制分枝杆菌的第七型分泌。这些化合物具有以下结构式（Ia），其中Q和X分别是CH和C，CR2和C，CH和N，CR2和N，或N和C；R1是氢、卤素或具有1或2个碳原子的可选择取代的线性或支链烷氧基；R2独立选择自氢、卤素或具有1或2个碳原子的可选择取代的线性或支链烷氧基，R3是可选择取代的具有1-6个碳原子的线性或支链烷氧基、具有1-6个碳原子的卤代烷基、正丙基、2-丙烯基、2-丙炔基或正戊基，或该化合物的药用盐，用于预防或治疗细菌感染。
• Arylthiadiazolylsulfonamides, pharmaceutical compositions and use
  申请人：Hoechst Roussel Pharmaceuticals, Inc.

  公开号：US04758578A1

  公开（公告）日：1988-07-19

  There are described compounds of the formula ##STR1## where n is 0, 1 or 2; X and Y are independently hydrogen, loweralkyl, loweralkoxy, arylloweralkyl, aryloxy, halogen, --CF.sub.3, --NO.sub.2, --OH, --OCOR.sub.1, ##STR2## where R.sub.1 is loweralkyl, arylloweralkyl, aryl or loweralkoxy, R.sub.2 is hydrogen, loweralkyl or loweralkylcarbonyl, R.sub.3 is hydrogen or loweralkyl, or the group --NR.sub.2 R.sub.3 as a whole is ##STR3## m is 0, 1 or 2, and R.sub.4 is hydrogen, loweralkyl or aryl; and Z is (R.sub.5,R.sub.6), ##STR4## where R.sub.5 and R.sub.6 are each independently hydrogen or loweralkyl, R.sub.7 is loweralkyl, R.sub.8 is hydrogen, loweralkyl or aryl, R.sub.9 and R.sub.10 are each independently loweralkyl or the group --NR.sub.9 R.sub.10 as a whole is ##STR5## R.sub.12 being hydrogen, loweralkyl or aryl, and R.sub.11 is hydrogen, loweralkyl or aryl; which are useful for the treatment of glaucoma.

  描述了化合物的公式##STR1##其中n为0、1或2；X和Y分别是氢、较低烷基、较低烷氧基、芳基较低烷基、芳氧基、卤素、-CF.sub.3、-NO.sub.2、-OH、-OCOR.sub.1、##STR2##其中R.sub.1是较低烷基、芳基较低烷基、芳基或较低烷氧基，R.sub.2是氢、较低烷基或较低烷基羰基，R.sub.3是氢或较低烷基，或者整体上--NR.sub.2 R.sub.3是##STR3##m为0、1或2，R.sub.4是氢、较低烷基或芳基；Z是（R.sub.5，R.sub.6），##STR4##其中R.sub.5和R.sub.6分别独立地是氢或较低烷基，R.sub.7是较低烷基，R.sub.8是氢、较低烷基或芳基，R.sub.9和R.sub.10分别独立地是较低烷基或整体上--NR.sub.9 R.sub.10是##STR5##R.sub.12是氢、较低烷基或芳基，R.sub.11是氢、较低烷基或芳基；这些化合物对青光眼的治疗是有用的。
• Arylthiadiazolylsulfonamides and derivatives
  申请人：——

  公开号：US04985450A1

  公开（公告）日：1991-01-15

  There are described compounds of the formula ##STR1## where n is 0, 1 or 2; x and y are independently hydrogen, loweralkyl, loweralkoxy, arylloweralkyl, aryloxy, halogen, --CF.sub.3, --NO.sub.2, --OH, --OCOR.sub.1, ##STR2## where R.sub.1 is loweralkyl, arylloweralkyl, aryl or loweralkoxy, R.sub.2 is hydrogen, loweralkyl or loweralkylcarbonyl, R.sub.3 is hydrogen or loweralkyl, or the group --NR.sub.2 R.sub.3 whole is ##STR3## m is 0, 1 or 2, and R.sub.4 is hydrogen, loweralkyl or aryl; and Z is (R.sub.5, R.sub.6), ##STR4## where R.sub.5 and R.sub.6 are each independently hydrogen or loweralkyl, R.sub.7 loweralkyl, R.sub.8 is hydrogen, loweralkyl or aryl, R.sub.9 and R.sub.10 are each independently loweralkyl or the group --NR.sub.9 R.sub.10 as a whole is ##STR5## R.sub.12 being hydrogen, loweralkyl or aryl, and R.sub.11 is hydrogen, loweralkyl or aryl; which are useful for the treatment of glaucoma.

  描述了如下式的化合物：##STR1## 其中n为0、1或2；x和y分别为氢、低碳基、低氧基、芳基低碳基、芳氧基、卤素、--CF.sub.3、--NO.sub.2、--OH、--OCOR.sub.1、##STR2## 其中R.sub.1为低碳基、芳基低碳基、芳基或低氧基，R.sub.2为氢、低碳基或低碳基羰基，R.sub.3为氢或低碳基，或者--NR.sub.2 R.sub.3整体为##STR3## m为0、1或2，R.sub.4为氢、低碳基或芳基；Z为(R.sub.5，R.sub.6)，##STR4## 其中R.sub.5和R.sub.6各自独立地为氢或低碳基，R.sub.7为低碳基，R.sub.8为氢、低碳基或芳基，R.sub.9和R.sub.10各自独立地为低碳基或--NR.sub.9 R.sub.10整体为##STR5## R.sub.12为氢、低碳基或芳基，而R.sub.11为氢、低碳基或芳基。这些化合物对于青光眼的治疗是有用的。
• Lemon tree named ‘7B97’
  申请人：2PH Farms Limited

  公开号：USPP029439P3

  公开（公告）日：2018-07-03

  ‘7B97’ is a new and distinct lemon tree notable for its high quality seedless fruit.

  “7B97”是一种新的柠檬树，以其高品质的无籽水果而著名。