Basic information
- Standard SMILES
CC(=O)SCCN- InChIKey
YBWLIIDAKFNRBL-UHFFFAOYSA-N- Molecular formula
- C4H9NOS
- Average molar mass
- 119.19 g/mol
- Monoisotopic mass
- 119.04048491
Overview
S-acetylcysteamine is a thioester. It is functionally related to a cysteamine. It is a conjugate base of a S-acetylcysteaminium.
Names & identifiers
- Preferred name
- Ethanethioic acid, S-(2-aminoethyl) ester
- IUPAC
- S-(2-aminoethyl) ethanethioate
- English name
- S-AcetylcysteaMine
- Molecular formula
- C4H9NOS
- Molecular weight
- 119.19
Names & synonyms
6197-31-5Ethanethioic acid, S-(2-aminoethyl) esterRefChem:1084381S-acetylcysteamineS-(2-aminoethyl) ethanethioateS-Acetylthioethanolamine1-[(2-aminoethyl)sulfanyl]ethan-1-oneS-Acetylcysteaminthioacetic acid S-(2-aminoethyl) esterC03537SCHEMBL5597124SCHEMBL8375300
Show more names
SCHEMBL9019537CHEMBL1190273CHEBI:17853DTXSID90274859YBWLIIDAKFNRBL-UHFFFAOYSA-NAKOS006334232EN300-6497871Q27102663
Database identifiers
- CAS
6197-31-5- PubChem CID
- 28643
- DTXSID
DTXSID90274859- ChEMBL
CHEMBL1190273- ChEBI
CHEBI:17853- Nikkaji
- J1.305.333B
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 64.7
Chemistry & industry
Suppliers1 total
郑州药领医药科技有限公司13526569071 · [email protected]
Additional notes
DefinitionChEBI: S-acetylcysteamine is a thioester. It is functionally related to a cysteamine. It is a conjugate base of a S-acetylcysteaminium.
Related reactions
2 records
Linked notes
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