Cas no 25465-36-5 (2-Amino-5-chlorobenzenecarbothioamide)
25465-36-5 structure
Product Name:2-Amino-5-chlorobenzenecarbothioamide
CAS No:25465-36-5
MF:C7H7ClN2S
MW:186.661878824234
CID:2837941
PubChem ID:5373382
Update Time:2025-04-21
2-Amino-5-chlorobenzenecarbothioamide Chemical and Physical Properties
Names and Identifiers
-
- CRWUYEFHHXSHGG-UHFFFAOYSA-N
- 2-Amino-5-chlorobenzenecarbothioamide #
- SCHEMBL11828387
- AKOS011782611
- 2-Amino-5-chlorobenzothioamide
- DTXSID50418717
- 2-Amino-5-chlorobenzenecarbothioamide
- 25465-36-5
-
- Inchi： 1S/C7H7ClN2S/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H2,10,11)
- InChI Key： CRWUYEFHHXSHGG-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=C(C(N)=S)C=1)N
Computed Properties
- Exact Mass: 186.0018471Da
- Monoisotopic Mass: 186.0018471Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 163
- 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: 1.5
- Topological Polar Surface Area: 84.1?2
2-Amino-5-chlorobenzenecarbothioamide Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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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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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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