Cas no 68372-12-3 (Hydrazinecarbothioamide, N-(4-chloro-2-nitrophenyl)-)
68372-12-3 structure
Product Name:Hydrazinecarbothioamide, N-(4-chloro-2-nitrophenyl)-
CAS No:68372-12-3
MF:C7H7ClN4O2S
MW:246.674078226089
CID:1727219
PubChem ID:12422049
Update Time:2025-04-21
Hydrazinecarbothioamide, N-(4-chloro-2-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Hydrazinecarbothioamide, N-(4-chloro-2-nitrophenyl)-
- 1-amino-3-(4-chloro-2-nitrophenyl)thiourea
- N-(4-Chloro-2-nitrophenyl)hydrazinecarbothioamide
- DTXSID50497502
- 68372-12-3
-
- Inchi： 1S/C7H7ClN4O2S/c8-4-1-2-5(10-7(15)11-9)6(3-4)12(13)14/h1-3H,9H2,(H2,10,11,15)
- InChI Key： OBHCOVAJDWBZAN-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=C(C=1)[N+](=O)[O-])NC(NN)=S
Computed Properties
- Exact Mass: 245.99801
- Monoisotopic Mass: 245.9978243g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 260
- 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: 128?2
Experimental Properties
- PSA: 93.22
Hydrazinecarbothioamide, N-(4-chloro-2-nitrophenyl)- Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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