4-Acetylaminophenylthiocyanate
Basic information
- CAS
3321-94-6- Standard SMILES
CC(=O)Nc1ccc(SC#N)cc1- InChIKey
APEAGEVJCMOJFZ-UHFFFAOYSA-N- Molecular formula
- C9H8N2OS
- Average molar mass
- 192.24 g/mol
- Monoisotopic mass
- 192.03573406
Names & identifiers
- Preferred name
- 4-Acetylaminophenylthiocyanate
- IUPAC
- (4-acetamidophenyl) thiocyanate
Names & synonyms
4-acetylaminophenylthiocyanate3321-94-6DTXSID70332562RefChem:289650DTXCID60283655(4-acetamidophenyl) thiocyanate4-Acetamidophenyl thiocyanateSCHEMBL6165267APEAGEVJCMOJFZ-UHFFFAOYSA-NThiocyanic acid, ester with p-hydroxyacetanilide
Database identifiers
- CAS
3321-94-6- PubChem CID
- 458738
- DTXSID
DTXSID70332562- Nikkaji
- J2.679.820E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 78.2 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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