8-Chloro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole
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Basic information
- Standard SMILES
Cn1ncc2c1-c1cc(Cl)ccc1SC2- InChIKey
LIMASBMSVAKXAX-UHFFFAOYSA-N- Molecular formula
- C11H9ClN2S
- Average molar mass
- 236.72 g/mol
- Monoisotopic mass
- 236.0174972
Names & identifiers
- Preferred name
- 8-Chloro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole
- IUPAC
- 8-chloro-1-methyl-4H-thiochromeno[3,4-d]pyrazole
Names & synonyms
SCHEMBL10368994LIMASBMSVAKXAX-UHFFFAOYSA-N8-chloro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole
Database identifiers
- PubChem CID
- 20186441
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 251
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Related reactions
1 records
Compound notes
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