Butanedioic acid, 2-mercapto-, 1,4-dibutyl ester
Basic information
- CAS
7529-08-0- Standard SMILES
CCCCOC(=O)CC(S)C(=O)OCCCC- InChIKey
CEAVWKAXWLZMFB-UHFFFAOYSA-N- Molecular formula
- C12H22O4S
- Average molar mass
- 262.37 g/mol
- Monoisotopic mass
- 262.12388018
Names & identifiers
- Preferred name
- Butanedioic acid, 2-mercapto-, 1,4-dibutyl ester
- IUPAC
- dibutyl 2-sulfanylbutanedioate
- English name
- dibutyl mercaptosuccinate
- Molecular formula
- C12H22O4S
- Molecular weight
- 262.36568
Names & synonyms
Butanedioic acid, mercapto-, dibutyl esterEINECS 231-390-2NSC 65457Butanedioic acid, 2-mercapto-, 1,4-dibutyl esterSuccinic acid, mercapto-, dibutyl esterDTXSID10884398RefChem:570890DTXCID001023839Dibutyl 2-mercaptosuccinate7529-08-0dibutyl 2-sulfanylbutanedioateDibutyl mercaptosuccinate
Show more names
2-Mercaptosuccinic acid dibutyl ester2-Mercaptobutanedioic acid dibutyl ester
dibutyl thiomalateNCIOpen2_003205SCHEMBL11087877NSC65457NSC-65457NS00046353
Database identifiers
- CAS
7529-08-0- PubChem CID
- 97984
- DTXSID
DTXSID10884398- EC Number
- 231-390-2
- Nikkaji
- J52.411E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- EPA Substance Registry System
- Butanedioic acid, mercapto-, dibutyl ester (7529-08-0)
- 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, 2-mercapto-, 1,4-dibutyl ester: INACTIVE
Related reactions
2 records
Compound notes
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