S-(2-aminoethyl)cysteine
Basic information
- CAS
2936-69-8- Standard SMILES
NCCSCC(N)C(=O)O- InChIKey
GHSJKUNUIHUPDF-UHFFFAOYSA-N- Molecular formula
- C5H12N2O2S
- Average molar mass
- 164.23 g/mol
- Monoisotopic mass
- 164.0619488
Names & identifiers
- Preferred name
- S-(2-aminoethyl)cysteine
- IUPAC
- 2-amino-3-(2-aminoethylsulfanyl)propanoic acid
- English name
- L-Cysteine, S-(2-aminoethyl)- (9CI)
- Molecular formula
- C5H12N2O2S
- Molecular weight
- 164.23
Names & synonyms
S-(2-aminoethyl)cysteinethialysineNSC186915NSC-241277(2-Aminoethyl)cysteine #SCHEMBL296784S-[2-Aminoethyl]-dl-cysteineCHEMBL2010208GHSJKUNUIHUPDF-UHFFFAOYSA-NNSC115857NSC241277AKOS009158149
Show more names
4-ThialysineL-ThialysineL-4-Thialysine4-Thia-L-lysineAminoethylcysteineS-2-aminoethyl cysteineL-Cysteine, S-(2-aminoethyl)-3-[(2-Aminoethyl)thio]-L-alanineL-Cysteine, S-(2-aminoethyl)- (9CI)
NSC-115857NCI60_001551
Database identifiers
- CAS
2936-69-8- PubChem CID
- 20049
- ChEMBL
CHEMBL2010208- Nikkaji
- J2.766.259E
Properties
Computed structural properties
- XLogP
- -3.7
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Boiling point
- 341.1 · 341.1±42.0 °C(Predicted)
- Density
- 1.289 · 1.289±0.06 g/cm3(Predicted)
- pka
- 2.02 · 2.02±0.10(Predicted)
- FDA UNII
- 2 H9OH0GT · OS2H9OH0GT
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Additional notes
DefinitionChEBI: A cysteine derivative that is the S-(2-aminoethyl) analogue of L-cysteine; reported to have cytotoxic effects.
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Related reactions
1 records
Compound notes
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