S-Methyl-L-cysteine sulfoxide

C₄H₉NO₃SCAS 6853-87-8151.18 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine Sulfoxide

Properties

Molecular formula: C₄H₉NO₃S
Molar mass: 151.18 g/mol
Exact mass: 151.0303 Da
Melting point: 169–170 °C
logP: -1.22Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3
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 the 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

6853-87-8

SMILES

CS(=O)C[C@H](N)C(=O)O

InChIKey

ZZLHPCSGGOGHFW-BUKSALPDSA-N

InChI

InChI=1S/C4H9NO3S/c1-9(8)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-,9?/m0/s1

Weigh it out

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

Names and synonyms

9 names

L-Cysteine, S-methyl-, S-oxide
Alanine, 3-(methylsulfinyl)-, L-
L-Alanine, 3-(methylsulfinyl)-
S-Methylcysteine sulfoxide
S-Methylcysteine S-oxide
NSC 226572
Kale anemia factor
(2R)-2-Azaniumyl-3-methylsulfinylpropanoate
(2R)-2-Amino-3-(methylsulfinyl)propanoic acid

Work with S-Methyl-L-cysteine sulfoxide

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

Methionine sulfoxide3226-65-169 % similar Methionine sulfoxide454-41-169 % similar Methionine sulfoxide62697-73-869 % similar (+)-α-Aminobutyric acid1492-24-652 % similar D-Alpha-aminobutyric acid2623-91-852 % similar α-Aminobutyric acid2835-81-652 % similar α-Aminobutyric acid80-60-452 % similar Beta-(N-Methylamino)-L-alanine15920-93-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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