2-(Phenylsulfanyl)-4,5-dihydro-1,3-thiazole
Basic information
- CAS
62652-38-4- Standard SMILES
c1ccc(SC2=NCCS2)cc1- InChIKey
GSCAIFIGUGOYGC-UHFFFAOYSA-N- Molecular formula
- C9H9NS2
- Average molar mass
- 195.3 g/mol
- Monoisotopic mass
- 195.01764164
Names & identifiers
- Preferred name
- 2-(Phenylsulfanyl)-4,5-dihydro-1,3-thiazole
- IUPAC
- 2-phenylsulfanyl-4,5-dihydro-1,3-thiazole
Names & synonyms
62652-38-42-(Phenylsulfanyl)-4,5-dihydro-1,3-thiazoleSCHEMBL3291901DTXSID80621550
Database identifiers
- CAS
62652-38-4- PubChem CID
- 22016883
- DTXSID
DTXSID80621550
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 63 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
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Compound notes
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