Basic information
- CAS
63017-92-5- Standard SMILES
CCC(SC)(SC)C(=O)N(C)c1ccccc1- InChIKey
XULIPEBUGXWYKW-UHFFFAOYSA-N- Molecular formula
- C13H19NOS2
- Average molar mass
- 269.4 g/mol
- Monoisotopic mass
- 269.09080658
Names & identifiers
- Preferred name
- N-methyl-2,2-bis(methylsulfanyl)-N-phenylbutanamide
- IUPAC
- N-methyl-2,2-bis(methylsulfanyl)-N-phenylbutanamide
Names & synonyms
63017-92-5N-methyl-2,2-bis(methylsulfanyl)-N-phenylbutanamideNSC298354DTXSID40315988NSC-298354
Database identifiers
- CAS
63017-92-5- PubChem CID
- 326673
- DTXSID
DTXSID40315988
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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