Basic information
- CAS
27978-16-1- Standard SMILES
CCSc1ccc(NC(C)=O)cc1- InChIKey
OZEDCQKEELTOTC-UHFFFAOYSA-N- Molecular formula
- C10H13NOS
- Average molar mass
- 195.28 g/mol
- Monoisotopic mass
- 195.07178521
Names & identifiers
- Preferred name
- Acetamide, N-(4-(ethylthio)phenyl)-
- IUPAC
- N-(4-ethylsulfanylphenyl)acetamide
- English name
- 4-Ethylthioacetanilide
- Molecular formula
- C10H13NOS
- Molecular weight
- 195.28
Names & synonyms
Acetamide, N-(4-(ethylthio)phenyl)-27978-16-14-EthylthioacetanilideBRN 2719063Acetanilide, 4'-(ethylthio)-N-[4-(ethylsulfanyl)phenyl]acetamide1-13-00-00202 (Beilstein Handbook Reference)SCHEMBL6033907DTXSID00182254AKOS006242921Acetamide, N-[4-(ethylthio)phenyl]-
Database identifiers
- CAS
27978-16-1- PubChem CID
- 147189
- DTXSID
DTXSID00182254- Nikkaji
- J419.500K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Melting point
- 116 · 116-117 °C(Solv: water (7732-18-5); ethanol (64-17-5))
- Boiling point
- 379.5 · 379.5±25.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 14.63 · 14.63±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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