S-Methylcysteine

C₄H₉NO₂SCAS 1187-84-4135.18 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine Sulfide

Properties

Molecular formula: C₄H₉NO₂S
Molar mass: 135.18 g/mol
Exact mass: 135.0354 Da
Melting point: 248 °C (decomposes)
logP: -0.24Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1187-84-4

SMILES

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

InChIKey

IDIDJDIHTAOVLG-VKHMYHEASA-N

InChI

InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1

Weigh it out

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

Names and synonyms

10 names

L-Cysteine, S-methyl-
Alanine, 3-(methylthio)-, L-
S-Methyl-L-cysteine
L-S-Methylcysteine
3-(Methylthio)alanine
(-)-S-Methyl-L-cysteine
S-Methyl-(R)-cysteine
NSC 15387
(2R)-2-Amino-3-(methylsulfanyl)propanoic acid
(2R)-2-Azaniumyl-3-methylsulfanylpropanoate

Work with S-Methylcysteine

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

DL-Lanthionine3183-08-267 % similar D-Methionine348-67-467 % similar D-Cystine349-46-267 % similar Cystine56-89-367 % similar (+-)-Methionine59-51-867 % similar Methionine63-68-367 % similar 2-Azaniumyl-3-((2-azaniumyl-2-carboxylatoethyl)disulfanyl)propanoate923-32-067 % similar Cystine dihydrochloride30925-07-666 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Thiomorpholine 1,1-dioxide39093-93-1 Homocysteine454-29-5 L-Homocysteine6027-13-0 1-Methylcyclopropanesulfonamide669008-26-8

Elsewhere

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