Basic information
- CAS
16441-34-2- Standard SMILES
CCOC(=O)Cc1csc(-c2ccccc2)n1- InChIKey
JXKUWLHMTFDRRS-UHFFFAOYSA-N- Molecular formula
- C13H13NO2S
- Average molar mass
- 247.31 g/mol
- Monoisotopic mass
- 247.06669966
Names & identifiers
- Preferred name
- Ethyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate
- IUPAC
- ethyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate
- English name
- (2-Phenyl-thiazol-4-yl)-acetic acid ethyl ester
- Molecular formula
- C13H13NO2S
- Molecular weight
- 247.31
Names & synonyms
16441-34-2(2-Phenyl-thiazol-4-yl)-acetic acid ethyl esterethyl 2-(2-phenyl-1,3-thiazol-4-yl)acetateEthyl 2-(2-phenylthiazol-4-yl)acetateMFCD00832796ethyl 2-phenylthiazole-4-acetate4-Thiazoleacetic acid, 2-phenyl-, ethyl esterSCHEMBL6311629DTXSID40383940JXKUWLHMTFDRRS-UHFFFAOYSA-NAKOS000348642Ethyl2-(2-phenylthiazol-4-yl)acetate
Show more names
DB-043591Ethyl (2-phenyl-1,3-thiazol-4-yl)acetateEthyl 2-(2-phenylthiazol-4-yl)acetate, 97%F031805
Database identifiers
- CAS
16441-34-2- PubChem CID
- 2797666
- DTXSID
DTXSID40383940
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 377.1 · 377.1±34.0 °C(Predicted)
- Density
- 1.196 · 1.196±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.15 · 1.15±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 501 · P501-P270-P264-P301+P312+P330
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P501-P270-P264-P301+P312+P330
Chemistry & industry
Suppliers23 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
西安美科生物科技有限公司029-18710438009 18710438009 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
杭州莱晟生物科技有限公司13456210265 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Capot Chemical Co.,Ltd.
Related reactions
3 records
Compound notes
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