Basic information
- CAS
40542-68-5- Standard SMILES
COc1ccc(/C=C/C2=NCCS2)cc1- InChIKey
YNYXLQQGFXBDJV-QPJJXVBHSA-N- Molecular formula
- C12H13NOS
- Average molar mass
- 219.3 g/mol
- Monoisotopic mass
- 219.07178521
Names & identifiers
- Preferred name
- Thiazole, 4,5-dihydro-2-(2-(4-methoxyphenyl)ethenyl)-
- IUPAC
- 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydro-1,3-thiazole
Names & synonyms
Thiazole, 4,5-dihydro-2-(2-(4-methoxyphenyl)ethenyl)-40542-68-5RefChem:1099828P-19172-(2-(p-Methoxyphenyl)ethenyl)-2-thiazoline2-(2-(4-Methoxyphenyl)ethenyl)-4,5-dihydrothiazole
Database identifiers
- CAS
40542-68-5- PubChem CID
- 6445751
- Nikkaji
- J541.614K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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