Basic information
- CAS
22446-20-4- Standard SMILES
NC(=O)CSc1ccccc1- InChIKey
KBRJQEVSKVOLNR-UHFFFAOYSA-N- Molecular formula
- C8H9NOS
- Average molar mass
- 167.23 g/mol
- Monoisotopic mass
- 167.04048508
Names & identifiers
- Preferred name
- 2-(Phenylthio)acetamide
- IUPAC
- 2-phenylsulfanylacetamide
- English name
- 2-phenylsulfanylacetamide
- Molecular formula
- C8H9NOS
- Molecular weight
- 167.23
Names & synonyms
2-(phenylthio)acetamide22446-20-42-phenylsulfanylacetamide2-(phenylsulfanyl)acetamideALPHA-(PHENYLTHIO)ACETAMIDEMFCD00040684Acetamide,2-(phenylthio)-NSC525221phenylsulfanylacetamideSCHEMBL1170309SCHEMBL1170312SCHEMBL5987366
Show more names
DTXSID20326193KBRJQEVSKVOLNR-UHFFFAOYSA-NSTL293575AKOS005234174HF-0032NSC-525221SY254152DS-006238
Database identifiers
- CAS
22446-20-4- PubChem CID
- 352162
- DTXSID
DTXSID20326193- Nikkaji
- J267.209J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2930909899 · 2930909899
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2930909899
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
成都福柯斯医药技术有限公司028-64950838 17340131597 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Related reactions
2 records
Compound notes
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