Basic information
- CAS
4968-41-6- Standard SMILES
COc1ccc(NC(=S)C#N)cc1- InChIKey
JSNTULLDGTWAAQ-UHFFFAOYSA-N- Molecular formula
- C9H8N2OS
- Average molar mass
- 192.24 g/mol
- Monoisotopic mass
- 192.03573406
Names & identifiers
- Preferred name
- (4-Methoxyphenyl)carbamothioyl cyanide
- IUPAC
- 1-cyano-N-(4-methoxyphenyl)methanethioamide
Names & synonyms
4968-41-6(4-methoxyphenyl)carbamothioyl cyanideNSC369319CHEMBL151307DTXSID70394529JSNTULLDGTWAAQ-UHFFFAOYSA-NNSC-369319NCI60_003402N-(4-Methoxyphenyl)-2-nitrilothioacetamide1-[(cyanocarbonothioyl)amino]-4-methoxybenzene
Database identifiers
- CAS
4968-41-6- PubChem CID
- 3636623
- DTXSID
DTXSID70394529- ChEMBL
CHEMBL151307- Nikkaji
- J844.385H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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