chempirical

Methyl cysteinate hydrochloride

C4H10ClNO2SCAS 18598-63-5171.64 g/mol

Open in Covalent MOL file
OONH2SHHCl
EsterPrimary amineThiol

Properties

Molecular formula
C4H10ClNO2S
Molar mass
171.64 g/mol
Exact mass
171.0121 Da
Melting point
140.5 °C
logP
-0.16Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
18598-63-5
SMILES
COC(=O)[C@@H](N)CS.Cl
InChIKey
WHOHXJZQBJXAKL-DFWYDOINSA-N
InChI
InChI=1S/C4H9NO2S.ClH/c1-7-4(6)3(5)2-8;/h3,8H,2,5H2,1H3;1H/t3-;/m0./s1

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Names and synonyms

20 names · show all
  • L-Cysteine, methyl ester, hydrochloride
  • Actiol
  • Methyl (R)-2-amino-3-mercaptopropanoate hydrochloride
  • Methyl L-cysteinate hydrochloride
  • LJ 48
  • NSC 161611
  • (R)-Methyl 2-amino-3-mercaptopropanoate hydrochloride
  • (R)-Cysteine methyl ester hydrochloride
  • L-Cysteine, methyl ester, hydrochloride (1:1)
  • Cysteine, methyl ester, hydrochloride, L-
  • Cysteine methyl ester hydrochloride
  • Methyl cysteine hydrochloride
  • Methyl β-mercaptoalanine hydrochloride
  • Methyl α-amino-β-mercaptopropionate hydrochloride
  • Acdrile
  • Visclair
  • Mecysteine hydrochloride
  • Methyl 2-amino-3-mercaptopropionate hydrochloride
  • Pectite
  • Zeotin

Work with Methyl 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

Ethyl cysteinate hydrochloride868-59-765 % similar 3-Chloro-D-alanine methyl ester,hydrochloride112346-82-464 % similar Cystine dimethyl ester dihydrochloride32854-09-464 % similar Methyl 2-amino-3-hydroxypropionate hydrochloride5619-04-564 % similar Serine methyl ester hydrochloride5680-80-864 % similar Methyl D-serinate hydrochloride5874-57-764 % similar Dimethyl aspartate hydrochloride32213-95-962 % similar Leucine methyl ester hydrochloride7517-19-362 % similar

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

Same formula

3-Methanesulfonylazetidine hydrochloride1400764-60-4

Elsewhere

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