Cas no 62591-27-9 (5-Thiazolecarboxylic acid, 2-amino-4-(chloromethyl)-, methyl ester)
62591-27-9 structure
Product Name:5-Thiazolecarboxylic acid, 2-amino-4-(chloromethyl)-, methyl ester
CAS No:62591-27-9
MF:C6H7ClN2O2S
MW:206.649978876114
CID:438944
PubChem ID:12308574
Update Time:2025-04-19
5-Thiazolecarboxylic acid, 2-amino-4-(chloromethyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Thiazolecarboxylic acid, 2-amino-4-(chloromethyl)-, methyl ester
- methyl 2-amino-4-(chloromethyl)-1,3-thiazole-5-carboxylate
- 62591-27-9
- DTXSID60487196
-
- Inchi： 1S/C6H7ClN2O2S/c1-11-5(10)4-3(2-7)9-6(8)12-4/h2H2,1H3,(H2,8,9)
- InChI Key： NCQMYOJJQIPYPB-UHFFFAOYSA-N
- SMILES： ClCC1=C(C(=O)OC)SC(N)=N1
Computed Properties
- Exact Mass: 205.99181
- Monoisotopic Mass: 205.9916763g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 181
- 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
- XLogP3: 1.2
- Topological Polar Surface Area: 93.4?2
Experimental Properties
- PSA: 65.21
5-Thiazolecarboxylic acid, 2-amino-4-(chloromethyl)-, methyl ester Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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