Cas no 127779-17-3 (Thiourea, N-cyano-N'-(4-nitrophenyl)-)
127779-17-3 structure
Product Name:Thiourea, N-cyano-N'-(4-nitrophenyl)-
CAS No:127779-17-3
MF:C8H6N4O2S
MW:222.22383928299
CID:1221969
PubChem ID:14569042
Update Time:2025-04-20
Thiourea, N-cyano-N'-(4-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N-cyano-N'-(4-nitrophenyl)-
- 1-cyano-3-(4-nitrophenyl)thiourea
- DTXSID00561742
- N-Cyano-N'-4-nitrophenylthiourea
- 127779-17-3
- SCHEMBL8983488
- PVIKCPCKSSSIBU-UHFFFAOYSA-N
- N-Cyano-N'-(4-nitrophenyl)thiourea
-
- Inchi: 1S/C8H6N4O2S/c9-5-10-8(15)11-6-1-3-7(4-2-6)12(13)14/h1-4H,(H2,10,11,15)
- InChI Key: PVIKCPCKSSSIBU-UHFFFAOYSA-N
- SMILES: S=C(NC#N)NC1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 222.02114662g/mol
- Monoisotopic Mass: 222.02114662g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 298
- 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: 2
- Topological Polar Surface Area: 126?2
Thiourea, N-cyano-N'-(4-nitrophenyl)- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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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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