3H-Pyrazol-3-one, 4-[2-(2-chloro-4-nitrophenyl)diazenyl]-2,4-dihydro-5-methyl-2-(tetrahydro-1,1-dioxido-3-thienyl)-
Basic information
- CAS
62308-14-9- Standard SMILES
CC1=NN(C2CCS(=O)(=O)C2)C(=O)C1N=Nc1ccc([N+](=O)[O-])cc1Cl- InChIKey
FNRBXWCMRXIJBE-UHFFFAOYSA-N- Molecular formula
- C14H14ClN5O5S
- Average molar mass
- 399.8 g/mol
- Monoisotopic mass
- 399.0404174
Names & identifiers
- Preferred name
- 3H-Pyrazol-3-one, 4-[2-(2-chloro-4-nitrophenyl)diazenyl]-2,4-dihydro-5-methyl-2-(tetrahydro-1,1-dioxido-3-thienyl)-
- IUPAC
- 4-[(2-chloro-4-nitrophenyl)diazenyl]-2-(1,1-dioxothiolan-3-yl)-5-methyl-4H-pyrazol-3-one
- English name
- 4-[(2-chloro-4-nitrophenyl)azo]-2,4-dihydro-5-methyl-2-(tetrahydro-3-thienyl)-3H-pyrazol-3-one S,S-dioxide
- Molecular formula
- C14H14ClN5O5S
- Molecular weight
- 399.81
Names & synonyms
DTXSID808669293H-Pyrazol-3-one, 4-((2-chloro-4-nitrophenyl)azo)-2,4-dihydro-5-methyl-2-(tetrahydro-3-thienyl)-, S,S-dioxide3H-Pyrazol-3-one, 4-(2-(2-chloro-4-nitrophenyl)diazenyl)-2,4-dihydro-5-methyl-2-(tetrahydro-1,1-dioxido-3-thienyl)-3H-Pyrazol-3-one, 4-[(2-chloro-4-nitrophenyl)azo]-2,4-dihydro-5-methyl-2-(tetrahydro-3-thienyl)-, S,S-dioxide3H-Pyrazol-3-one, 4-[2-(2-chloro-4-nitrophenyl)diazenyl]-2,4-dihydro-5-methyl-2-(tetrahydro-1,1-dioxido-3-thienyl)-RefChem:505804DTXCID6081515762308-14-93H-Pyrazol-3-one, 4-((2-chloro-4-nitrophenyl)azo)-2,4-dihydro-5-methyl-2-(tetrahydro-1,1-dioxido-3-thienyl)-3H-Pyrazol-3-one, 4-[(2-chloro-4-nitrophenyl)azo]-2,4-dihydro-5-methyl-2-(tetrahydro-1,1-dioxido-3-thienyl)-EINECS 263-499-6FNRBXWCMRXIJBE-UHFFFAOYSA-N
Show more names
4-[(2-chloro-4-nitrophenyl)azo]-2,4-dihydro-5-methyl-2-(tetrahydro-3-thienyl)-3H-pyrazol-3-one S,S-dioxide3-[[4-[(2-Chloro-4-nitrophenyl)azo]-3,4-dihydro-5-methyl-3-oxo-2H-pyrazol]-2-yl]tetrahydrothiophene 1,1-dioxide
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 759
Physicochemical properties
- EPA Substance Registry System
- 3 H-Pyrazol-3-one, · 3H-Pyrazol-3-one, 4-[(2-chloro-4-nitrophenyl)azo]-2,4-dihydro-5-methyl-2-(tetrahydro-1,1-dioxido-3-thienyl)- (62308-14-9)
- 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.
Hazard information
Regulatory InformationChemical: 3H-Pyrazol-3-one, 4-[(2-chloro-4-nitrophenyl)azo]-2,4-dihydro-5-methyl-2-(tetrahydro-3-thienyl)-, S,S-dioxide
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3H-Pyrazol-3-one, 4-[2-(2-chloro-4-nitrophenyl)diazenyl]-2,4-dihydro-5-methyl-2-(tetrahydro-1,1-dioxido-3-thienyl)-: INACTIVE
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