S-tert-Butyl-L-cysteine hydrochloride

C₇H₁₆ClNO₂SCAS 2481-09-6213.72 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine Sulfide

Properties

Molecular formula: C₇H₁₆ClNO₂S
Molar mass: 213.72 g/mol
Exact mass: 213.0590 Da
Melting point: 203–204 °C
logP: 1.35Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

2481-09-6

SMILES

CC(C)(C)SC[C@H](N)C(=O)O.Cl

InChIKey

MHBMYFJKEBCMDR-JEDNCBNOSA-N

InChI

InChI=1S/C7H15NO2S.ClH/c1-7(2,3)11-4-5(8)6(9)10;/h5H,4,8H2,1-3H3,(H,9,10);1H/t5-;/m0./s1

Weigh it out

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

Names and synonyms

5 names

L-Cysteine, S-(1,1-dimethylethyl)-, hydrochloride (1:1)
Alanine, 3-(tert-butylthio)-, hydrochloride, L-
L-Cysteine, S-(1,1-dimethylethyl)-, hydrochloride
Alanine, 3-(tert-butylthio)-, hydrochloride
(2R)-2-Amino-3-(tert-butylsulfanyl)propanoic acid hydrochloride

Work with S-tert-Butyl-L-cysteine 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

3-[(1,1-Dimethylethyl)dithio]-L-alanine30044-51-064 % similar Cystine dihydrochloride30925-07-664 % similar L-Cystine, hydrochloride (1:?)34760-60-664 % similar S-Methylcysteine1187-84-459 % similar Dl-lanthionine3183-08-255 % similar D-Cystine349-46-255 % similar Cystine923-32-055 % similar Djenkolic acid498-59-951 % similar

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

Same formula

L-Methionine O-ethyl ester hydrochloride2899-36-7

Elsewhere

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