Amidosulfenyl chloride, N-methyl-N-[(4-methylphenyl)sulfonyl]-
Basic information
- CAS
52913-45-8- Standard SMILES
Cc1ccc(S(=O)(=O)N(C)SCl)cc1- InChIKey
NAWQKWLDGDPPJR-UHFFFAOYSA-N- Molecular formula
- C8H10ClNO2S2
- Average molar mass
- 251.8 g/mol
- Monoisotopic mass
- 250.9841486
Names & identifiers
- Preferred name
- Amidosulfenyl chloride, N-methyl-N-[(4-methylphenyl)sulfonyl]-
- IUPAC
- [methyl-(4-methylphenyl)sulfonylamino] thiohypochlorite
- English name
- N-Methyl-N-(chlorothio)-p-toluenesulfonamide
- Molecular formula
- C8H10ClNO2S2
- Molecular weight
- 251.75
Names & synonyms
Amidosulfenyl chloride, methyl((4-methylphenyl)sulfonyl)-Amidosulfenyl chloride, methyl[(4-methylphenyl)sulfonyl]-Amidosulfenyl chloride, N-methyl-N-((4-methylphenyl)sulfonyl)-Amidosulfenyl chloride, N-methyl-N-[(4-methylphenyl)sulfonyl]-RefChem:55716452913-45-8N-Methyl-N-(chlorothio)-p-toluenesulfonamideN-(chlorosulfanyl)-N,4-dimethylbenzene-1-sulfonamideSCHEMBL8028914DTXSID0068816N-chlorothio-N-methyl-p-toluenesulfonamideDB-309095
Show more names
[methyl-(4-methylphenyl)sulfonylamino] thiohypochlorite
Database identifiers
- CAS
52913-45-8- PubChem CID
- 104356
- DTXSID
DTXSID0068816- Nikkaji
- J429.198K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- EPA Substance Registry System
- Amidosulfenyl chloride, methyl[(4-methylphenyl)sulfonyl]- (52913-45-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAmidosulfenyl chloride, N-methyl-N-[(4-methylphenyl)sulfonyl]-: INACTIVE
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Related reactions
1 records
Compound notes
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