2-Ethylthio-5-carboxythiazole

HCID 21391910

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCSc1ncc(C(=O)O)s1
InChIKey: COGHKMYHZCVKOF-UHFFFAOYSA-N
Molecular formula: C6H7NO2S2
Average molar mass: 189.3 g/mol

Names & identifiers

Preferred name: 2-Ethylthio-5-carboxythiazole
IUPAC: 2-ethylsulfanyl-1,3-thiazole-5-carboxylic acid

Names & synonyms

65793-28-42-(Ethylthio)-5-thiazolecarboxylic acid2-ethylthio-5-carboxythiazoleSCHEMBL11718352COGHKMYHZCVKOF-UHFFFAOYSA-N

Database identifiers

PubChem CID: 21391910

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 104 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 154

Related reactions

7 records

New reaction record

HRID 88120As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 461684As reactantuspto-grants-1977_12

HRID 461839As reactantuspto-grants-1977_12

HRID 461928As reactantuspto-grants-1977_12

HRID 461998As reactantuspto-grants-1977_12

HRID 675328As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 816573As reactantTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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