4-(Ethoxycarbonyl)thiazole-2-carboxylic acid

HCID 178836516CAS 914288-53-2
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Basic information

Standard SMILES
CCOC(=O)c1csc(C(=O)O)n1
InChIKey
QRHYNZBPNHFANG-UHFFFAOYSA-N
Molecular formula
C7H7NO4S
Average molar mass
201.2 g/mol

Names & identifiers

Preferred name
4-(Ethoxycarbonyl)thiazole-2-carboxylic acid
IUPAC
4-ethoxycarbonyl-1,3-thiazole-2-carboxylic acid
English name
2,4-Thiazoledicarboxylic acid, 4-ethyl ester
Molecular formula
C7H7NO4S
Molecular weight
201.2

Names & synonyms

4-(ethoxycarbonyl)thiazole-2-carboxylic acid914288-53-2SCHEMBL4717848QRHYNZBPNHFANG-UHFFFAOYSA-Nthiazole-2,4-dicarboxylic acid 4-ethyl ester2,4-Thiazoledicarboxylic acid, 4-ethyl ester

Database identifiers

CAS
914288-53-2

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
105 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
13

Physicochemical properties

Boiling point
378.1 · 378.1±34.0 °C(Predicted)
Density
1.446 · 1.446±0.06 g/cm3(Predicted)
pka
2.55 · 2.55±0.10(Predicted)

Chemistry & industry

Suppliers6 total

南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
HONG KONG IPURE BIOLOGY CO.,LIMITED86 18062405514 18062405514 · [email protected]
福州福康医药科技有限公司18150835816

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