2-(Ethylsulfanyl)butanedioic acid
Basic information
- CAS
44978-42-9- Standard SMILES
CCSC(CC(=O)O)C(=O)O- InChIKey
QLONCKJHVAADQN-UHFFFAOYSA-N- Molecular formula
- C6H10O4S
- Average molar mass
- 178.21 g/mol
- Monoisotopic mass
- 178.02997997
Names & identifiers
- Preferred name
- 2-(Ethylsulfanyl)butanedioic acid
- IUPAC
- 2-ethylsulfanylbutanedioic acid
Names & synonyms
2-(ethylsulfanyl)butanedioic acid44978-42-9DTXSID20278628RefChem:254009DTXCID50229784NSC8537ethylmercaptosuccinic acidSCHEMBL11203316SCHEMBL18815932NSC-8537
Database identifiers
- CAS
44978-42-9- PubChem CID
- 222489
- DTXSID
DTXSID20278628
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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