3-isothiocyanato-N,N,4-trimethylbenzenesulfonamide
Basic information
- CAS
379255-05-7- Standard SMILES
Cc1ccc(S(=O)(=O)N(C)C)cc1N=C=S- InChIKey
HLOOIKJIWCESDM-UHFFFAOYSA-N- Molecular formula
- C10H12N2O2S2
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.03401998
Names & identifiers
- Preferred name
- 3-isothiocyanato-N,N,4-trimethylbenzenesulfonamide
- IUPAC
- 3-isothiocyanato-N,N,4-trimethylbenzenesulfonamide
Names & synonyms
3-isothiocyanato-N,N,4-trimethylbenzenesulfonamideDTXSID501230665AKOS001042999379255-05-73-Isothiocyanato-N,N,4-trimethylbenzene-1-sulfonamideZ56869479
Database identifiers
- CAS
379255-05-7- PubChem CID
- 3565862
- DTXSID
DTXSID501230665
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…