(R)-2-Methylcysteine hydrochloride

C₄H₁₀ClNO₂SCAS 148766-37-4171.64 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine Thiol

Properties

Molecular formula: C₄H₁₀ClNO₂S
Molar mass: 171.64 g/mol
Exact mass: 171.0121 Da
logP: 0.14Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

148766-37-4

SMILES

C[C@](CS)(C(=O)O)N.Cl

InChIKey

MAGCVRLGTQSVGF-WCCKRBBISA-N

InChI

InChI=1S/C4H9NO2S.ClH/c1-4(5,2-8)3(6)7;/h8H,2,5H2,1H3,(H,6,7);1H/t4-;/m0./s1

Weigh it out

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

Work with (R)-2-Methylcysteine 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-2-Methylcysteine hydrochloride151062-55-4Enantiomer

Similar compounds

2-Methyl-L-serine16820-18-156 % similar D-Isovaline3059-97-056 % similar DL-Isovaline465-58-756 % similar 2-Methylserine5424-29-356 % similar Isovaline595-39-156 % similar Isovaline595-40-456 % similar 2-Methyl-D-serine81132-44-756 % similar (2R)-2-Amino-2-methyl-4-pentenoic acid96886-56-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Methanesulfonylazetidine hydrochloride1400764-60-4 Methyl cysteinate hydrochloride18598-63-5 Thiomorpholine 1,1-dioxide hydrochloride59801-62-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook