Cas no 61291-22-3 ( )
structure
Product Name:
CAS No:61291-22-3
MF:C5H4ClNOS
MW:161.609358787537
CID:954280
PubChem ID:45081378
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiazolecarbonyl chloride, 5-methyl- (9CI)
- 5-Methyl-1,3-thiazole-2-carbonyl chloride
- DTXSID50664555
- 2-THIAZOLECARBONYL CHLORIDE, 5-METHYL-
- DB-324190
- 5-Methylthiazole-2-carbonyl chloride
- 2-Thiazolecarbonyl chloride,5-methyl-(9ci)
- SCHEMBL3053764
- 61291-22-3
-
-
- Inchi： 1S/C5H4ClNOS/c1-3-2-7-5(9-3)4(6)8/h2H,1H3
- InChI Key： JSLOJDYATUONSR-UHFFFAOYSA-N
- SMILES： ClC(C1=NC=C(C)S1)=O
Computed Properties
- Exact Mass: 160.97
- Monoisotopic Mass: 160.97
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 130
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 58.2A^2
- XLogP3: 2.2
Related Literature
-
Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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