Basic information
- CAS
5461-95-0- Standard SMILES
NC(=O)CS(=O)CC(N)C(=O)O- InChIKey
XSQKKPFNIVGDHL-UHFFFAOYSA-N- Molecular formula
- C5H10N2O4S
- Average molar mass
- 194.21 g/mol
- Monoisotopic mass
- 194.03612798
Names & identifiers
- Preferred name
- 3-((2-Amino-2-oxoethyl)sulfinyl)alanine
- IUPAC
- 2-amino-3-(2-amino-2-oxoethyl)sulfinylpropanoic acid
- English name
- 2-amino-3-(carbamoylmethylsulfinyl)propanoic acid
- Molecular formula
- C5H10N2O4S
- Molecular weight
- 194.21
Names & synonyms
NSC141615461-95-03-((2-amino-2-oxoethyl)sulfinyl)alanineNSC-14161CHEMBL1983612DTXSID502798003-(2-Amino-2-oxoethanesulfinyl)alanineNCI60_0009152-amino-3-(2-amino-2-oxo-ethyl)sulfinyl-propanoic acidL-Cysteine, S-(2-amino-2-oxoethyl)-, S-oxide2-amino-3-(carbamoylmethylsulfinyl)propanoic acid
Database identifiers
- CAS
5461-95-0- PubChem CID
- 225083
- DTXSID
DTXSID50279800- ChEMBL
CHEMBL1983612
Properties
Computed structural properties
- XLogP
- -5.2
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Boiling point
- 609.896 · 609.896±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.618 · 1.618±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.861 · 1.861±0.10(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…