Basic information
- CAS
20664-28-2- Standard SMILES
CC(SCSC(C)C(=O)O)C(=O)O- InChIKey
MWRZTYMWLMGRRT-UHFFFAOYSA-N- Molecular formula
- C7H12O4S2
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.01770121
Names & identifiers
- Preferred name
- 2,2'-(Methylenedisulfanediyl)dipropanoic acid
- IUPAC
- 2-(1-carboxyethylsulfanylmethylsulfanyl)propanoic acid
- English name
- Methylenebis(thiolactic acid)
- Molecular formula
- C7H12O4S2
- Molecular weight
- 224.3
Names & synonyms
98962-98-2DTXSID003437472,2'-(Methylenedisulfanediyl)dipropanoic acidRefChem:242109DTXCID802948242-({[(1-carboxyethyl)sulfanyl]methyl}sulfanyl)propanoic acid2-(1-carboxyethylsulfanylmethylsulfanyl)propanoic acid2-({(1-CARBOXYETHYL)THIOMETHYL}THIO)PROPANOIC ACIDMaybridge1_007264SCHEMBL13589969HMS562C04MWRZTYMWLMGRRT-UHFFFAOYSA-N
Show more names
Methylenebis(thiolactic acid)bis-(1-carboxy-ethylsulfanyl)-methanePropionic acid, 2,2'-(methylenedithio)di- (6CI)2-([[(1-CARBOXYETHYL)THIO]METHYL]THIO)PROPANOIC ACID
DTXSID701031328AKOS024375452CCG-2461262,2'-(Methylenedithio)bispropanoic acidST510161992,2'-[Methylenebis(thio)]bis-propanoic acid2-[(carboxyethylthio)methylthio]propanoic acid2,2'-[Methylenebis(sulfanediyl)]dipropanoic acid
Database identifiers
- CAS
20664-28-2、98962-98-2- PubChem CID
- 591963
- DTXSID
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Melting point
- 149 · 149-152 °C
- Boiling point
- 415.721 · 415.721±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.384 · 1.384±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.379 · 3.379±0.10(predicted)
Chemistry & industry
Suppliers1 total
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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