462075-93-0
4-[(BUTYLTHIO)METHYL]-5-METHYL-2-FUROIC ACID
Name4-[(BUTYLTHIO)METHYL]-5-METHYL-2-FUROIC ACID
1Identification
【Name】
4-[(BUTYLTHIO)METHYL]-5-METHYL-2-FUROIC ACID
【CAS】
【MDL】
MFCD00475551
【English Synonyms】
【Formula】
C11 H16 O3 S
【MolWeight】
228.31
【Inchi】
InChI=1S/C11H16O3S/c1-3-4-5-15-7-9-6-10(11(12)13)14-8(9)2/h6H,3-5,7H2,1-2H3,(H,12,13)
【InChIKey】
InChIKey=GELLZSIDRRZODN-UHFFFAOYSA-N
【SMILES】
CCCCSCc1cc(oc1C)C(=O)O
【MOL File】
4-[(BUTYLTHIO)METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[(BUTYLTHIO)METHYL]-5-METHYL-2-FUROIC ACID.cml