Thieno(2,3-d)isothiazole, 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-, 1,1-dioxide
Basic information
- CAS
113387-74-9- Standard SMILES
Cc1nn(C2=NS(=O)(=O)c3cc(-c4ccccc4)sc32)c(C)c1Cl- InChIKey
CLRISKKTEWJIRN-UHFFFAOYSA-N- Molecular formula
- C16H12ClN3O2S2
- Average molar mass
- 377.9 g/mol
- Monoisotopic mass
- 377.0059467
Names & identifiers
- Preferred name
- Thieno(2,3-d)isothiazole, 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-, 1,1-dioxide
- IUPAC
- 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide
Names & synonyms
BRN 5999825Thieno(2,3-d)isothiazole, 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-, 1,1-dioxide113387-74-93-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-5-phenylthieno(2,3-d)isothiazole 1,1-dioxideDTXSID60150393RefChem:384947DTXCID70728843-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-1H-1lambda~6~-thieno[2,3-d][1,2]thiazole-1,1-dione
Database identifiers
- CAS
113387-74-9- PubChem CID
- 3087142
- DTXSID
DTXSID60150393
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 630
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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