2-[(5-Phenyl-1H-pyrazol-3-yl)sulfanyl]-1,3-benzothiazole
Basic information
- CAS
57988-20-2- Standard SMILES
c1ccc(-c2cc(Sc3nc4ccccc4s3)n[nH]2)cc1- InChIKey
ATWDSWXCUSSFDC-UHFFFAOYSA-N- Molecular formula
- C16H11N3S2
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.03943971
Names & identifiers
- Preferred name
- 2-[(5-Phenyl-1H-pyrazol-3-yl)sulfanyl]-1,3-benzothiazole
- IUPAC
- 2-[(5-phenyl-1H-pyrazol-3-yl)sulfanyl]-1,3-benzothiazole
Names & synonyms
57988-20-2DTXSID806141842-[(5-Phenyl-1H-pyrazol-3-yl)sulfanyl]-1,3-benzothiazole
Database identifiers
- CAS
57988-20-2- PubChem CID
- 21454041
- DTXSID
DTXSID80614184
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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