chempirical

H-D-Met-ome hcl

C6H14ClNO2SCAS 69630-60-0199.69 g/mol

Open in Covalent MOL file
OOSNH2HCl
EsterPrimary amineSulfide

Properties

Molecular formula
C6H14ClNO2S
Molar mass
199.69 g/mol
Exact mass
199.0434 Da
logP
0.66Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
69630-60-0
SMILES
COC(=O)[C@@H](CCSC)N.Cl
InChIKey
MEVUPUNLVKELNV-NUBCRITNSA-N
InChI
InChI=1S/C6H13NO2S.ClH/c1-9-6(8)5(7)3-4-10-2;/h5H,3-4,7H2,1-2H3;1H/t5-;/m1./s1

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Work with H-D-Met-ome hcl

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.

Methionine methyl ester hydrochloride2491-18-1Enantiomer

Similar compounds

L-Methionine O-ethyl ester hydrochloride2899-36-768 % similar H-D-Met-oet hcl7512-43-868 % similar L-Methionine isopropyl ester hydrochloride85391-05-568 % similar L-Glutamine methyl ester hydrochloride32668-14-764 % similar D-Glutamine methyl ester hydrochloride74817-54-264 % similar Cystine dimethyl ester dihydrochloride32854-09-463 % similar 1,5-Dimethyl 2-aminopentanedioate hydrochloride13515-99-662 % similar Dimethyl L-glutamate hydrochloride23150-65-462 % similar

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

Same formula

Vitamin U1115-84-0 DL-Methionine methylsulfonium chloride3493-12-7

Elsewhere

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