Basic information
- CAS
1795-56-8- Standard SMILES
COC(=O)CC(S)C(=O)OC- InChIKey
WTRNXHQNTGJCBK-UHFFFAOYSA-N- Molecular formula
- C6H10O4S
- Average molar mass
- 178.21 g/mol
- Monoisotopic mass
- 178.0299798
Overview
increases excretion of Cd via bile; RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- Dimethyl mercaptosuccinate
- IUPAC
- dimethyl 2-sulfanylbutanedioate
- English name
- dimethyl mercaptosuccinate
- Molecular formula
- C6H10O4S
- Molecular weight
- 178.21
Names & synonyms
Dimethyl mercaptosuccinate1795-56-8Di-Me-meso-DmsaDTXSID301311483DiMeDMSAmercaptosuccinic acid dimethyl esterdimethyl dimercaptosuccinic acidRefChem:134254DTXCID101741317217-277-0Dimercaptosuccinic acid dimethyl esterDimethyl thiomalate
Show more names
2-Mercaptosuccinic acid dimethyl ester2-Mercaptobutanedioic acid dimethyl esterButanedioic acid, 2-mercapto-, 1,4-dimethyl ester
dimethyl 2-sulfanylbutanedioateUSAF ND-61Butanedioic acid, mercapto-, dimethyl esterdimethyl 2-mercaptosuccinateEINECS 217-277-0NSC 2379BRN 1908706Succinic acid, mercapto-, dimethyl ester
Database identifiers
- CAS
1795-56-8- PubChem CID
- 95335
- DTXSID
DTXSID301311483- EC Number
- 217-277-0
- Nikkaji
- J48.681G
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 83 · 83-84 °C(Press: 1.5 Torr)
- Density
- 1.2159 g/cm3 · 1.2159 g/cm3
- pka
- 6.89 · 6.89±0.25(Predicted)
- CAS DataBase Reference
- 1795 · 1795-56-8
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
扬州瑞宏生物科技有限公司15380367604; 15380367604 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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