chempirical

Ethyl cysteinate hydrochloride

C5H12ClNO2SCAS 868-59-7185.67 g/mol

Open in Covalent MOL file
OONH2SHHCl
EsterPrimary amineThiol

Properties

Molecular formula
C5H12ClNO2S
Molar mass
185.67 g/mol
Exact mass
185.0277 Da
logP
0.23Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
868-59-7
SMILES
CCOC(=O)[C@@H](N)CS.Cl
InChIKey
JFKJWWJOCJHMGV-WCCKRBBISA-N
InChI
InChI=1S/C5H11NO2S.ClH/c1-2-8-5(7)4(6)3-9;/h4,9H,2-3,6H2,1H3;1H/t4-;/m0./s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • L-Cysteine, ethyl ester, hydrochloride
  • L-Cysteine, ethyl ester, hydrochloride (1:1)
  • Cysteine, ethyl ester, hydrochloride, L-
  • Cystanin
  • Ethyl L-cysteinate hydrochloride
  • NSC 117387
  • NSC 519837
  • (R)-Ethyl 2-amino-3-mercaptopropanoate hydrochloride

Work with Ethyl cysteinate hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

L-Seryl ethyl ester hydrochloride26348-61-866 % similar L-Norvaline, ethyl ester, hydrochloride (1:1)40918-51-266 % similar Methyl cysteinate hydrochloride18598-63-565 % similar Leucine ethyl ester hydrochloride2743-40-064 % similar Diethyl L-glutamate hydrochloride1118-89-461 % similar L-Methionine O-ethyl ester hydrochloride2899-36-761 % similar (S)-Ethyl 2,5-diaminopentanoate dihydrochloride84772-29-261 % similar Lysine ethyl ester dihydrochloride3844-53-959 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Aminotetrahydro-2H-thiopyran 1,1-dioxide hydrochloride116529-31-8

Elsewhere

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