4-Carbethoxy-2-phenylthiazoline
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Basic information
- CAS
70454-09-0- Standard SMILES
CCOC(=O)C1CSC(c2ccccc2)=N1- InChIKey
NLJHTKVOMRSESM-UHFFFAOYSA-N- Molecular formula
- C12H13NO2S
- Average molar mass
- 235.3 g/mol
- Monoisotopic mass
- 235.06669983
Names & identifiers
- Preferred name
- 4-Carbethoxy-2-phenylthiazoline
- IUPAC
- ethyl 2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate
- English name
- ethyl 2-phenyl-4,5-dihydrothiazole-4-carboxylate
- Molecular formula
- C12H13NO2S
- Molecular weight
- 235.3
Names & synonyms
NSC603980SCHEMBL59148304-carbethoxy-2-phenylthiazoline4-carbethoxy-2-phenyl-thiazolineNLJHTKVOMRSESM-UHFFFAOYSA-NAKOS018718229ethyl 2-phenylthiazoline-4-carboxylateNSC-603980ethyl 2-phenyl-4,5-dihydrothiazole-4-carboxylate4-Thiazolecarboxylic acid, 4,5-dihydro-2-phenyl-, ethyl ester
Database identifiers
- CAS
70454-09-0- PubChem CID
- 354030
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Boiling point
- 354.4 · 354.4±52.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 2.29 · 2.29±0.40(Predicted)
Related reactions
1 records
Compound notes
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