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Basic information
- Standard SMILES
CCCCSN1C(=O)c2ccccc2C1=S- InChIKey
OACMCAFZTABPMO-UHFFFAOYSA-N- Molecular formula
- C12H13NOS2
- Average molar mass
- 251.4 g/mol
- Monoisotopic mass
- 251.04385639
Names & identifiers
- Preferred name
- 2-Butylsulfanyl-3-sulfanylideneisoindol-1-one
- IUPAC
- 2-butylsulfanyl-3-sulfanylideneisoindol-1-one
Names & synonyms
NSC620032CHEMBL1993736NSC-620032NCI60_005910
Database identifiers
- PubChem CID
- 359288
- ChEMBL
CHEMBL1993736
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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