Basic information
- CAS
3774-52-5- Standard SMILES
Oc1ccc(C#[N+][S-])cc1- InChIKey
SLKVRBRSBZMWCY-UHFFFAOYSA-N- Molecular formula
- C7H5NOS
- Average molar mass
- 151.19 g/mol
- Monoisotopic mass
- 151.00918496
Names & identifiers
- Preferred name
- 4-hydroxy-N-sulfidobenzonitrilium
- IUPAC
- 4-hydroxy-N-sulfidobenzonitrilium
- English name
- 4-Hydroxyphenyl thiocyanate
- Molecular formula
- C7H5NOS
- Molecular weight
- 151.19
Names & synonyms
4-hydroxy-N-sulfidobenzonitriliumNSC 2935AI3-196264-Thiocyanatophenol4-Thiocyanophenolp-Thiocyanatophenol4-Hydroxyphenyl thiocyanateThiocyanic acid 4-hydroxyphenyl ester
Database identifiers
- CAS
3774-52-5- PubChem CID
- 19600
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 25.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- CAS DataBase Reference
- 3774 · 3774-52-5
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
湖北扬信医药科技有限公司07143299675 13092790750 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
Additional notes
DefinitionChEBI: 4-Thiocyanatophenol is an aryl sulfide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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