923675-20-1
5-([(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]METHYL)FURAN-2-CARBOXYLIC ACID
Name5-([(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]METHYL)FURAN-2-CARBOXYLIC ACID
1Identification
【Name】
5-([(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]METHYL)FURAN-2-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD08691413
【English Synonyms】
【Formula】
C10 H10 N2 O3 S
【MolWeight】
238.266
【Inchi】
InChI=1S/C10H10N2O3S/c1-12-5-4-11-10(12)16-6-7-2-3-8(15-7)9(13)14/h2-5H,6H2,1H3,(H,13,14)
【InChIKey】
InChIKey=OOYSVVKAMYDYRF-UHFFFAOYSA-N
【SMILES】
Cn1ccnc1SCc2ccc(o2)C(=O)O
【MOL File】
5-([(1-METHYL-1H-IMI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-([(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]METHYL)FURAN-2-CARBOXYLIC ACID.cml