![2-{[1-(4-Methoxyphenyl)propan-2-yl]sulfanyl}butanedioic acid structure](/static/products/5800/5800-99-7.webp)
2-{[1-(4-Methoxyphenyl)propan-2-yl]sulfanyl}butanedioic acid
2-[1-(4-methoxyphenyl)propan-2-ylsulfanyl]butanedioic acid
Also Known As: 2-{[1-(4-methoxyphenyl)propan-2-yl]sulfanyl}butanedioic acid|2-[1-(4-methoxyphenyl)propan-2-ylsulfanyl]butanedioic acid|[[2-(4-METHOXYPHENYL)-1-METHYLETHYL]THIO]SUCCINIC ACID
CAS: 5800-99-7
| Molecular Formula | C14H18O5S |
|---|---|
| Molecular Weight | 298.0875 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 298.0875 |
| Monoisotopic Mass | 298.0875 |
| Heavy Atoms | 20 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 5800-99-7 |
|---|---|
| SMILES | CC(CC1=CC=C(C=C1)OC)SC(CC(=O)O)C(=O)O |
| InChIKey | GDEPUXNCMBNXHG-UHFFFAOYSA-N |
Product Overview
2-{[1-(4-Methoxyphenyl)propan-2-yl]sulfanyl}butanedioic acid (CAS 5800-99-7), with molecular formula C14H18O5S and molecular weight 298.0875 g/mol. IUPAC: 2-[1-(4-methoxyphenyl)propan-2-ylsulfanyl]butanedioic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
2-{[1-(4-Methoxyphenyl)propan-2-yl]sulfanyl}butanedioic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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