Ethyl 2-butyl-5-methylsulfanyl-3H-imidazole-4-carboxylate

HCID 9859628

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Basic information

CAS
137997-30-9
Standard SMILES
CCCCc1nc(SC)c(C(=O)OCC)[nH]1
InChIKey
ILPIQJLAIDENHN-UHFFFAOYSA-N
Molecular formula
C11H18N2O2S
Average molar mass
242.34 g/mol
Monoisotopic mass
242.10889882

Names & identifiers

Preferred name
Ethyl 2-butyl-5-methylsulfanyl-3H-imidazole-4-carboxylate
IUPAC
ethyl 2-butyl-4-methylsulfanyl-1H-imidazole-5-carboxylate

Names & synonyms

137997-30-9Ethyl 2-butyl-5-methylsulfanyl-3H-imidazole-4-carboxylateSCHEMBL7268595DTXSID70431968ILPIQJLAIDENHN-UHFFFAOYSA-Nethyl 2-butyl-4-(methylthio)-1H-imidazole-5-carboxylateEthyl 2-butyl-4-(methylsulfanyl)-1H-imidazole-5-carboxylate2-Butyl-5-methylsulfanyl-1H-imidazole-4-carboxylic acid ethyl ester

Database identifiers

CAS
137997-30-9
PubChem CID
9859628
DTXSID
DTXSID70431968
Nikkaji
J659.042J

Properties

Computed structural propertiesFilling in

XLogP
3.2
Topological polar surface area
80.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
16

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Related reactions

5 records

Compound notes

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