5-{[(5-Methyl-1,2,4-oxadiazol-3-yl)methyl]sulfanyl}furan-2-carboxylic acid

HCID 63941998

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Basic information

CAS: 1343436-43-0
Standard SMILES: Cc1nc(CSc2ccc(C(=O)O)o2)no1
InChIKey: KFVJYVLQXLMZTF-UHFFFAOYSA-N
Molecular formula: C9H8N2O4S
Average molar mass: 240.24 g/mol
Monoisotopic mass: 240.02047791

Names & identifiers

Preferred name: 5-{[(5-Methyl-1,2,4-oxadiazol-3-yl)methyl]sulfanyl}furan-2-carboxylic acid
IUPAC: 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]furan-2-carboxylic acid

Names & synonyms

DTXSID001150294AKOS0132572662-Furancarboxylic acid, 5-[[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thio]-5-{[(5-Methyl-1,2,4-oxadiazol-3-yl)methyl]sulfanyl}furan-2-carboxylic acid1343436-43-0

Database identifiers

CAS: 1343436-43-0
PubChem CID: 63941998
DTXSID: DTXSID001150294

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 115 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 266

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