![2-[(1,3-Benzodioxol-5-ylmethyl)thio]benzoic acid structure](/static/products/5853/5853-83-8.webp)
2-[(1,3-Benzodioxol-5-ylmethyl)thio]benzoic acid
2-(1,3-benzodioxol-5-ylmethylsulfanyl)benzoic acid
Also Known As: CBMicro_034174|Oprea1_462669|Oprea1_685787|2-[(1,3-benzodioxol-5-ylmethyl)thio]benzoic acid|BIM-0034063.P001|2-(1,3-benzodioxol-5-ylmethylsulfanyl)benzoic acid|2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]benzoic acid|benzoic acid, 2-[(1,3-benzodioxol-5-ylmethyl)thio]-|AG-690/12911005|SR-01000220634-1|2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)benzoic acid|2-{[(2H-1,3-Benzodioxol-5-yl)methyl]sulfanyl}benzoic acid
| Molecular Formula | C15H12O4S |
|---|---|
| Molecular Weight | 288.04562 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.04562 |
| Monoisotopic Mass | 288.04562 |
| Heavy Atoms | 20 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 5853-83-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CSC3=CC=CC=C3C(=O)O |
| InChIKey | DWPSVPGCPOWNJN-UHFFFAOYSA-N |
Product Overview
2-[(1,3-Benzodioxol-5-ylmethyl)thio]benzoic acid (CAS 5853-83-8), with molecular formula C15H12O4S and molecular weight 288.04562 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)benzoic acid.
2-[(1,3-Benzodioxol-5-ylmethyl)thio]benzoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »