56157-98-3
Basic information
- CAS
56157-98-3- Standard SMILES
CS(C)(=O)=Nc1ccc(Cl)cc1- InChIKey
GENGCYWIQHRTDA-UHFFFAOYSA-N- Molecular formula
- C8H10ClNOS
- Average molar mass
- 203.69 g/mol
- Monoisotopic mass
- 203.0171628
Names & identifiers
- Preferred name
- 56157-98-3
- IUPAC
- (4-chlorophenyl)imino-dimethyl-oxo-λ6-sulfane
Names & synonyms
56157-98-3benzene, 1-chloro-4-[(dimethyloxidosulfanylidene)amino]-1-chloro-4-{[dimethyl(oxido)-lambda~4~-sulfanylidene]amino}benzenebenzene, 1-chloro-4-((dimethyloxidosulfanylidene)amino)-1-chloro-4-((dimethyl(oxido)-lambda~4~-sulfanylidene)amino)benzeneRefChem:305069InChI=1/C8H10ClNOS/c1-12(2,11)10-8-5-3-7(9)4-6-8/h3-6H,1-2H[(4-chlorophenyl)imino]dimethyl-lambda6-sulfanoneNSC284679DTXSID803145111-Chloro-4-{[dimethyl(oxo)-lambda~6~-sulfanylidene]amino}benzeneGS0151
Show more names
NSC-284679EN300-320900
Database identifiers
- CAS
56157-98-3- PubChem CID
- 323561
- DTXSID
DTXSID80314511
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 242
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…