Basic information
- CAS
6345-96-6- Standard SMILES
CC(C)(S)C(N)=O- InChIKey
ABYMGZBIRXNEIB-UHFFFAOYSA-N- Molecular formula
- C4H9NOS
- Average molar mass
- 119.19 g/mol
- Monoisotopic mass
- 119.04048508
Names & identifiers
- Preferred name
- 2-Methyl-2-sulfanylpropanamide
- IUPAC
- 2-methyl-2-sulfanylpropanamide
Names & synonyms
6345-96-62-methyl-2-sulfanylpropanamideNSC43737Propanamide, 2-mercapto-2-methyl-SCHEMBL925412DTXSID30328668NSC-43737AKOS006340423
Database identifiers
- CAS
6345-96-6- PubChem CID
- 412989
- DTXSID
DTXSID30328668
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 89.7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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