3-{4-Methyl[(2-nitrophenyl)sulfanyl]anilino}-2,3-dihydrothiophene 1,1-dioxide
Basic information
- CAS
371232-59-6- Standard SMILES
Cc1ccc(N(Sc2ccccc2[N+](=O)[O-])C2C=CS(=O)(=O)C2)cc1- InChIKey
WMKLYMNBNZTYRA-UHFFFAOYSA-N- Molecular formula
- C17H16N2O4S2
- Average molar mass
- 376.5 g/mol
- Monoisotopic mass
- 376.05514934
Names & identifiers
- Preferred name
- 3-{4-Methyl[(2-nitrophenyl)sulfanyl]anilino}-2,3-dihydrothiophene 1,1-dioxide
- IUPAC
- N-(4-methylphenyl)-N-(2-nitrophenyl)sulfanyl-1,1-dioxo-2,3-dihydrothiophen-3-amine
- English name
- 3-{4-methyl[(2-nitrophenyl)sulfanyl]anilino}-2,3-dihydrothiophene 1,1-dioxide
- Molecular formula
- C17H16N2O4S2
- Molecular weight
- 376.45
Names & synonyms
3-{4-methyl[(2-nitrophenyl)sulfanyl]anilino}-2,3-dihydrothiophene 1,1-dioxide371232-59-6N-(4-methylphenyl)-N-(2-nitrophenyl)sulfanyl-1,1-dioxo-2,3-dihydrothiophen-3-amineSTL332506AKOS001020857AKOS016366178AF-399/40714868SR-01000031063SR-01000031063-1Z568133983-(((2-nitrophenyl)thio)(p-tolyl)amino)-2,3-dihydrothiophene 1,1-dioxideN-(4-methylphenyl)-N-[(2-nitrophenyl)sulfanyl]-2,3-dihydrothiophen-3-amine 1,1-dioxide
Show more names
Benzenesulfenamide, N-(2,3-dihydro-1,1-dioxido-3-thienyl)-N-(4-methylphenyl)-2-nitro-
Database identifiers
- CAS
371232-59-6- PubChem CID
- 2909790
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 603
Physicochemical properties
- Boiling point
- 617 · 617.0±65.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- -0.81 · -0.81±0.20(Predicted)
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