Basic information
- CAS
54006-68-7- Standard SMILES
Cc1snc(-c2ccccc2)c1C- InChIKey
UKLVYNIKHKODGX-UHFFFAOYSA-N- Molecular formula
- C11H11NS
- Average molar mass
- 189.28 g/mol
- Monoisotopic mass
- 189.06122053
Names & identifiers
- Preferred name
- 4,5-Dimethyl-3-phenylisothiazole
- IUPAC
- 4,5-dimethyl-3-phenyl-1,2-thiazole
Names & synonyms
4,5-Dimethyl-3-phenylisothiazole4,5-dimethyl-3-phenyl-1,2-thiazoleSCHEMBL19053583DTXSID30130210954006-68-7
Database identifiers
- CAS
54006-68-7- PubChem CID
- 10261908
- DTXSID
DTXSID301302109
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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