Dimethyl dithiodiacetate
Basic information
- CAS
1665-64-1- Standard SMILES
COC(=O)CSSCC(=O)OC- InChIKey
CJFDFRRZIPQFKP-UHFFFAOYSA-N- Molecular formula
- C6H10O4S2
- Average molar mass
- 210.3 g/mol
- Monoisotopic mass
- 210.00205114
Names & identifiers
- Preferred name
- Dimethyl dithiodiacetate
- IUPAC
- methyl 2-[(2-methoxy-2-oxoethyl)disulfanyl]acetate
- English name
- Methoxycarbonylmethyldisulfanyl-acetic acid methyl ester
- Molecular formula
- C6H10O4S2
- Molecular weight
- 210.27
Names & synonyms
Dimethyl dithiodiacetate1665-64-1DTXSID40327248RefChem:338686DTXCID80278361Methoxycarbonylmethyldisulfanyl-acetic acid methyl esterNSC638710methyl 2-[(2-methoxy-2-oxoethyl)disulfanyl]acetateNSC-638710Acetic acid, 2,2'-dithiobis-, dimethyl esterSCHEMBL284164methoxycarbonyl-methyl disulphide
Show more names
Acetic acid, 2,2'-dithiobis-, 1,1'-dimethyl ester
Dimethyl 2,2'-disulfanediyldiacetatemethyl 2-[(2-methoxy-2-oxo-ethyl)disulfanyl]acetate
Database identifiers
- CAS
1665-64-1- PubChem CID
- 368256
- DTXSID
DTXSID40327248- Nikkaji
- J802.919I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Boiling point
- 262.7 · 262.7±25.0 °C(Predicted)
- Density
- 1.294 · 1.294±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
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Compound notes
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