Basic information
- CAS
1441-89-0- Standard SMILES
N#CSc1ccccc1C(=O)Sc1ccccc1- InChIKey
YTHZYGDAWGNSFY-UHFFFAOYSA-N- Molecular formula
- C14H9NOS2
- Average molar mass
- 271.4 g/mol
- Monoisotopic mass
- 271.01255626
Names & identifiers
- Preferred name
- S-Phenyl 2-(thiocyanato)benzene-1-carbothioate
- IUPAC
- S-phenyl 2-thiocyanatobenzenecarbothioate
Names & synonyms
1441-89-0S-Phenyl 2-(thiocyanato)benzene-1-carbothioateDTXSID10537832
Database identifiers
- CAS
1441-89-0- PubChem CID
- 13349331
- DTXSID
DTXSID10537832
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…