Completing data — usually done within a minute
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
- Formal charge
- 0
- Complexity
- 226
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
5 records
Compound notes
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