Basic information
- CAS
54744-70-6- Standard SMILES
NC(=O)CSCc1ccccc1- InChIKey
SSAAMOPNNPAZDB-UHFFFAOYSA-N- Molecular formula
- C9H11NOS
- Average molar mass
- 181.26 g/mol
- Monoisotopic mass
- 181.05613515
Names & identifiers
- Preferred name
- Acetamide, 2-(benzylthio)-
- IUPAC
- 2-benzylsulfanylacetamide
- English name
- α-(Benzylthio)acetamide
- Molecular formula
- C9H11NOS
- Molecular weight
- 181.25
Names & synonyms
2-(Benzylthio)acetamideAcetamide, 2-(benzylthio)-54744-70-6THV7X9ZVS4NSC-23562RefChem:1075228alpha-(Benzylthio)acetamideAcetamide, 2-((phenylmethyl)thio)-Acetamide, 2-[(phenylmethyl)thio]-NSC 23562BRN 1947362NSC23562
Show more names
Acriflavine Impurity 4α-(Benzylthio)acetamide2-benzylsulfanylacetamide
UNII-THV7X9ZVS4WLN: ZV1S1R4-06-00-02702 (Beilstein Handbook Reference).alpha.-(benzylthio)acetamideSCHEMBL1478837SCHEMBL5840786(Benzylsulfanyl)ethanimidic acid2-BENZYLSULFANYL-ACETAMIDE
Database identifiers
- CAS
54744-70-6- PubChem CID
- 95209
- DTXSID
DTXSID80970070- UNII
- THV7X9ZVS4
- Nikkaji
- J72.519F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- FDA UNII
- 7 X9ZVS4 · THV7X9ZVS4
Chemistry & industry
Suppliers2 total
阳谷荣科商贸有限公司15863541132 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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