Basic information
- CAS
113387-66-9- Standard SMILES
O=S1(=O)N=C(n2cccn2)c2sccc21- InChIKey
BEMFASLOMFLVJC-UHFFFAOYSA-N- Molecular formula
- C8H5N3O2S2
- Average molar mass
- 239.3 g/mol
- Monoisotopic mass
- 238.98231876
Names & identifiers
- Preferred name
- Thieno(2,3-d)isothiazole, 3-(1H-pyrazol-1-yl)-, 1,1-dioxide
- IUPAC
- 3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide
Names & synonyms
BRN 5956021Thieno(2,3-d)isothiazole, 3-(1H-pyrazol-1-yl)-, 1,1-dioxide113387-66-93-(1H-Pyrazol-1-yl)thieno(2,3-d)isothiazole 1,1-dioxideDTXSID30150385RefChem:384941DTXCID30728763-(1H-Pyrazol-1-yl)-1H-1lambda~6~-thieno[2,3-d][1,2]thiazole-1,1-dione
Database identifiers
- CAS
113387-66-9- PubChem CID
- 3087134
- DTXSID
DTXSID30150385
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…