Cas no 4968-41-6 (Carbonocyanidothioicamide, N-(4-methoxyphenyl)-)
4968-41-6 structure
Product Name:Carbonocyanidothioicamide, N-(4-methoxyphenyl)-
CAS No:4968-41-6
MF:C9H8N2OS
MW:192.237620353699
CID:335259
PubChem ID:3636623
Update Time:2025-04-19
Carbonocyanidothioicamide, N-(4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Carbonocyanidothioicamide, N-(4-methoxyphenyl)-
- 1-cyano-N-(4-methoxyphenyl)methanethioamide
- (4-methoxyphenyl)carbamothioyl cyanide
- (4-Methoxy-phenyl)-thiooxalamonitril
- (4-methoxy-phenyl)-thiooxalamonitrile
- 1-[(cyanocarbonothioyl)amino]-4-methoxybenzene
- AC1MU7RF
- CHEMBL151307
- CTK1D8948
- N-(4-Methoxyphenyl)-2-nitrilothioacetamide
- N-(p-anisyl)cyanothioformamide
- N-(p-methoxyphenyl)cyanothioformamide
- NCI60_003402
- NSC369319
- NSC-369319
- 4968-41-6
- DTXSID70394529
- JSNTULLDGTWAAQ-UHFFFAOYSA-N
-
- Inchi： 1S/C9H8N2OS/c1-12-8-4-2-7(3-5-8)11-9(13)6-10/h2-5H,1H3,(H,11,13)
- InChI Key： JSNTULLDGTWAAQ-UHFFFAOYSA-N
- SMILES： S=C(C#N)NC1C=CC(=CC=1)OC
Computed Properties
- Exact Mass: 192.03600
- Monoisotopic Mass: 192.035734
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 225
- 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: 77.1
- XLogP3: 1.8
Experimental Properties
- Density: 1.3
- Boiling Point: 302.7°Cat760mmHg
- Flash Point: 136.9°C
- Refractive Index: 1.657
- PSA: 77.14000
- LogP: 2.03108
Carbonocyanidothioicamide, N-(4-methoxyphenyl)- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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