56157-99-4
Basic information
- CAS
56157-99-4- Standard SMILES
Cc1ccc(N=S(C)(C)=O)cc1- InChIKey
AKHHZYWKTWXXPM-UHFFFAOYSA-N- Molecular formula
- C9H13NOS
- Average molar mass
- 183.27 g/mol
- Monoisotopic mass
- 183.07178521
Names & identifiers
- Preferred name
- 56157-99-4
- IUPAC
- dimethyl-(4-methylphenyl)imino-oxo-λ6-sulfane
Names & synonyms
56157-99-4benzene, 1-[(dimethyloxidosulfanylidene)amino]-4-methyl-1-{[dimethyl(oxido)-lambda~4~-sulfanylidene]amino}-4-methylbenzenebenzene, 1-((dimethyloxidosulfanylidene)amino)-4-methyl-1-((dimethyl(oxido)-lambda~4~-sulfanylidene)amino)-4-methylbenzeneRefChem:305070InChI=1/C9H13NOS/c1-8-4-6-9(7-5-8)10-12(2,3)11/h4-7H,1-3HNSC284680SCHEMBL25975192DTXSID403145121-{[Dimethyl(oxo)-lambda~6~-sulfanylidene]amino}-4-methylbenzeneGS0153
Show more names
NSC-284680Sulfoximine,S-dimethyl-N-(4-methylphenyl)-[(4-methylphenyl)imino]dimethyl-lambda6-sulfanone
Database identifiers
- CAS
56157-99-4- PubChem CID
- 323562
- DTXSID
DTXSID40314512
Properties
Computed structural properties
- XLogP
- 2.4
- 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
- 237
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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