ST069970
4-(butylsulfanylmethyl)-5-methylfuran-2-carboxylic acid
Also Known As: 4-[(BUTYLTHIO)METHYL]-5-METHYL-2-FUROIC ACID|CHEMBRDG-BB 5925680|4-(butylsulfanylmethyl)-5-methylfuran-2-carboxylic acid|4-butylthiomethyl-5-methyl-2-furoic acid|4-(Butylthio)methyl-5-methyl-2-furoic Acid|W-7166|4-((Butylthio)methyl)-5-methylfuran-2-carboxylic acid|AG-205/32243036|4-(butylsulfanylmethyl)-5-methyl-furan-2-carboxylic Acid|4-(butylthiomethyl)-5-methylfuran-2-carboxylic acid|4-((Butylthio)methyl)-5-methylfuran-2-carboxylicacid|4-[(BUTYLSULFANYL)METHYL]-5-METHYLFURAN-2-CARBOXYLIC ACID|4-[(BUTYLSULFANYL)METHYL]-5-METHYL-2-FUROIC ACID
| Molecular Formula | C11H16O3S |
|---|---|
| Molecular Weight | 228.08202 g/mol |
| LogP | 3.31952 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 228.08202 |
| Monoisotopic Mass | 228.08202 |
| Heavy Atoms | 15 |
| Complexity | 330.57407 |
Chemical Identifiers
| CAS Number | 462075-93-0 |
|---|---|
| SMILES | CCCCSCC1=C(OC(=C1)C(=O)O)C |
Product Overview
ST069970 (CAS 462075-93-0), with molecular formula C11H16O3S and molecular weight 228.08202 g/mol. IUPAC: 4-(butylsulfanylmethyl)-5-methylfuran-2-carboxylic acid.
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