5-Tert-butyl-2-sulfanylbenzene-1,3-dicarboxylic acid
5-tert-butyl-2-sulfanylbenzene-1,3-dicarboxylic acid
Also Known As: 2-mercapto-5-tert-butylisophthalic acid|5-tert-butyl-2-sulfanylbenzene-1,3-dicarboxylic acid|1,3-Benzenedicarboxylicacid, 5-(1,1-dimethylethyl)-2-mercapto-
CAS: 64407-86-9
| Molecular Formula | C12H14O4S |
|---|---|
| Molecular Weight | 254.06128 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.06128 |
| Monoisotopic Mass | 254.06128 |
| Heavy Atoms | 17 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 64407-86-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)C(=O)O)S)C(=O)O |
| InChIKey | LGVWGMJGWYOENS-UHFFFAOYSA-N |
Product Overview
5-Tert-butyl-2-sulfanylbenzene-1,3-dicarboxylic acid (CAS 64407-86-9), with molecular formula C12H14O4S and molecular weight 254.06128 g/mol. IUPAC: 5-tert-butyl-2-sulfanylbenzene-1,3-dicarboxylic 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 →
5-Tert-butyl-2-sulfanylbenzene-1,3-dicarboxylic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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