Ethyl 4,5-dihydro-1,3-thiazole-2-carboxylate

HCID 333641

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Basic information

CAS: 82677-98-3
Standard SMILES: CCOC(=O)C1=NCCS1
InChIKey: CVVVOUAYQLHPOR-UHFFFAOYSA-N
Molecular formula: C6H9NO2S
Average molar mass: 159.21 g/mol
Monoisotopic mass: 159.0353997

Names & identifiers

Preferred name: Ethyl 4,5-dihydro-1,3-thiazole-2-carboxylate
IUPAC: ethyl 4,5-dihydro-1,3-thiazole-2-carboxylate

Names & synonyms

Ethyl 4,5-dihydro-1,3-thiazole-2-carboxylate82677-98-3DTXSID70318806RefChem:343581DTXCID10269929NSC336266CVVVOUAYQLHPOR-UHFFFAOYSA-NNSC-336266DS-0012832-Thiazoline-2-carboxylic acid, ethyl esterEthyl 4,5-dihydro-1,3-thiazole-2-carboxylate #2-THIAZOLECARBOXYLICACID, 4,5-DIHYDRO-, ETHYL ESTER

Database identifiers

CAS: 82677-98-3
PubChem CID: 333641
DTXSID: DTXSID70318806

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 64 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 167

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