Basic information
- CAS
56477-98-6- Standard SMILES
CN(C)c1ccc(C2Sc3ccccc3S2)cc1- InChIKey
IBZOAORQVAYHSH-UHFFFAOYSA-N- Molecular formula
- C15H15NS2
- Average molar mass
- 273.4 g/mol
- Monoisotopic mass
- 273.06459183
Names & identifiers
- Preferred name
- 4-(1,3-benzodithiol-2-yl)-N,N-dimethylaniline
- IUPAC
- 4-(1,3-benzodithiol-2-yl)-N,N-dimethylaniline
Names & synonyms
NSC34515756477-98-6DTXSID00319407NSC-3451574-(2H-1,3-BENZODITHIOL-2-YL)-N,N-DIMETHYLANILINE
Database identifiers
- CAS
56477-98-6- PubChem CID
- 335463
- DTXSID
DTXSID00319407
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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