Basic information
- CAS
17795-08-3- Standard SMILES
CCS(=O)CC(N)C(=O)O- InChIKey
CSZTZFUEOCFFJH-UHFFFAOYSA-N- Molecular formula
- C5H11NO3S
- Average molar mass
- 165.21 g/mol
- Monoisotopic mass
- 165.04596439
Overview
Ethiin is an alpha-amino acid.
Names & identifiers
- Preferred name
- Alanine, 3-(ethylsulfinyl)-
- IUPAC
- 2-amino-3-ethylsulfinylpropanoic acid
Names & synonyms
Alanine, 3-(ethylsulfinyl)-3-(Ethylsulfinyl)alanine, 9CISCHEMBL12086544CHEBI:1658582-amino-3-ethylsulinylpropanoic acidAKOS0147779442-amino-3-ethylsulfinyl-propanoic acid
Database identifiers
- CAS
17795-08-3- PubChem CID
- 487523
- ChEBI
CHEBI:165858
Properties
Computed structural properties
- XLogP
- -4
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 148
Experimental & physicochemical properties
Melting Point157 - 159 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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