Methyl (4-phenyl-1,3-thiazol-2-yl)acetate
Basic information
- CAS
93001-82-2- Standard SMILES
COC(=O)Cc1nc(-c2ccccc2)cs1- InChIKey
OGNQEXKJRUCLAY-UHFFFAOYSA-N- Molecular formula
- C12H11NO2S
- Average molar mass
- 233.29 g/mol
- Monoisotopic mass
- 233.05104977
Names & identifiers
- Preferred name
- Methyl (4-phenyl-1,3-thiazol-2-yl)acetate
- IUPAC
- methyl 2-(4-phenyl-1,3-thiazol-2-yl)acetate
- English name
- METHYL (4-PHENYL-1,3-THIAZOL-2-YL)ACETATE
- Molecular formula
- C12H11NO2S
- Molecular weight
- 233.29
Names & synonyms
93001-82-2methyl (4-phenyl-1,3-thiazol-2-yl)acetatemethyl 2-(4-phenyl-1,3-thiazol-2-yl)acetateMethyl 2-(4-phenylthiazol-2-yl)acetateDTXSID20427876HMS1776C22AKOS009028805CS-0347409EN300-14554Z1043410882-Methoxycarbonylmethyl-4-phenylthiazol2-Thiazoleacetic acid, 4-phenyl-, Methyl ester
Show more names
(4-Phenyl-thiazol-2-yl)-acetic acid methyl ester
Database identifiers
- CAS
93001-82-2- PubChem CID
- 7130876
- DTXSID
DTXSID20427876
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 366.9 · 366.9±25.0 °C(Predicted)
- Density
- 1.226 · 1.226±0.06 g/cm3(Predicted)
- pka
- 1.8 · 1.80±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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