(2R,3S)-2,3-disulfanylbutanedioic acid

• ChemBase ID: 127064
• Molecular Formular: C4H6O4S2
• Molecular Mass: 182.21804
• Monoisotopic Mass: 181.97075067
• SMILES: O=C(O)[C@@H](S)[C@@H](S)C(=O)O
• Canonical SMILES: S[C@H]([C@@H](C(=O)O)S)C(=O)O
• InChI: InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)/t1-,2+
• InChIKey: ACTRVOBWPAIOHC-XIXRPRMCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3S)-2,3-disulfanylbutanedioic acid
• IUPAC Traditional name: succimer
• Synonyms: succimer; APRD01236 (Drugbankr; Chemet; Dimercaptosuccinic acid; DIM-SA; DMS; DMSA; meso-2,3-Dimercaptosuccinic acid; 2,3-Dithio-meso-tartaric acid; 2,3-二硫代-内消旋酒石酸; 二巯基丁二酸; 内消旋-2,3-二巯基丁二酸; 间-2,3-二巯基丁二酸

Database IDs

• CAS Number: 304-55-2
• EC Number: 206-155-2; 259-952-2
• MDL Number: MFCD00064799
• Beilstein Number: 1725150
• Merck Index: 148865
• PubChem SID: 24894166; 162221387
• PubChem CID: 2724354
• CHEMBL: 1201073
• Chemspider ID: 2006502
• Unique Ingredient Identifier: DX1U2629QE
• Wikipedia Title: Dimercaptosuccinic_acid

CALCULATED PROPERTIES

• Log P: 0.25882706
• Molar Refractivity: 38.4674 cm^3
• Polarizability: 15.464712 Å^3
• Polar Surface Area: 74.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 3.3712347
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -2.1819494
• LogD (pH = 7.4): -5.1027217

PROPERTIES

Physical Property

• Melting Point: 125°C; 196-198 °C (dec.)(lit.); ca 196°C dec.

Safety Information

• RTECS: WM7650000
• European Hazard Symbols: X
• German water hazard class: 2
• Risk Statements: 36/37/38-63
• Safety Statements: 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08
• GHS Hazard statements: H361-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ~98%; ≥97.0% (T); 96%; 97%
• Grade: purum
• Linear Formula: HO2CCH(SH)CH(SH)CO2H

DETAILS

Sigma Aldrich - D7881

Application
锌的 EDTA 滴定中镉的选择性掩蔽剂。
包装
1, 5, 25, 50 g in poly bottle

REFERENCES

• Water soluble chelating agent.