Butanedioic acid, 1,4-bis(2-mercaptoethyl) ester
Basic information
- CAS
60642-67-3- Standard SMILES
O=C(CCC(=O)OCCS)OCCS- InChIKey
KHPRKIZSQDCBGN-UHFFFAOYSA-N- Molecular formula
- C8H14O4S2
- Average molar mass
- 238.3 g/mol
- Monoisotopic mass
- 238.03335093
Names & identifiers
- Preferred name
- Butanedioic acid, 1,4-bis(2-mercaptoethyl) ester
- IUPAC
- bis(2-sulfanylethyl) butanedioate
- English name
- bis(2-mercaptoethyl) succinate
- Molecular formula
- C8H14O4S2
- Molecular weight
- 238.32
Names & synonyms
60642-67-3Butanedioic acid, bis(2-mercaptoethyl) esterEINECS 262-340-8Butanedioic acid, 1,4-bis(2-mercaptoethyl) esterBis(2-mercaptoethyl) 1,4-butanedioateDTXSID40886406RefChem:570793DTXCID201025736Bis(2-mercaptoethyl) succinatebis(2-sulfanylethyl) butanedioate1,4-BIS(2-SULFANYLETHYL) BUTANEDIOATESCHEMBL209595
Show more names
Succinic acid bis(2-mercaptoethyl) esterButanedioic acid bis(2-mercaptoethyl) ester
KHPRKIZSQDCBGN-UHFFFAOYSA-NDB-318764NS00054258
Database identifiers
- CAS
60642-67-3- PubChem CID
- 108982
- DTXSID
DTXSID40886406- EC Number
- 262-340-8
- Nikkaji
- J268.243E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 354.6 · 354.6±32.0 °C(Predicted)
- Density
- 1.218 · 1.218±0.06 g/cm3(Predicted)
- pka
- 8.88 · 8.88±0.10(Predicted)
- LogP
- 1.527 · 1.527 (est)
- EPA Substance Registry System
- Butanedioic acid, bis(2-mercaptoethyl) ester (60642-67-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanedioic acid, 1,4-bis(2-mercaptoethyl) ester: INACTIVE
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Compound notes
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