S-2-Hydroxyethyl-L-cysteine

C₅H₁₁NO₃SCAS 6367-98-2165.21 g/mol

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Alcohol Carboxylic acid Primary amine Sulfide

Properties

Molecular formula: C₅H₁₁NO₃S
Molar mass: 165.21 g/mol
Exact mass: 165.0460 Da
logP: -0.88Crippen estimate
Polar surface area: 83.5 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 5
Stereocentres: Rin SMILES atom order

Hazards

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

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Identifiers

CAS number

6367-98-2

SMILES

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

InChIKey

MWFRVMDVLYIXJF-BYPYZUCNSA-N

InChI

InChI=1S/C5H11NO3S/c6-4(5(8)9)3-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1

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Names and synonyms

1 names

S-(2-Hydroxyethyl)cysteine

Work with S-2-Hydroxyethyl-L-cysteine

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

Fudosteine13189-98-581 % similar DL-Lanthionine3183-08-271 % similar Djenkolic acid498-59-967 % similar D-Cystine349-46-260 % similar Cystine56-89-360 % similar 2-Azaniumyl-3-((2-azaniumyl-2-carboxylatoethyl)disulfanyl)propanoate923-32-060 % similar S-Carboxymethyl-L-cysteine186537-58-659 % similar S-(Carboxymethyl)cysteine2387-59-959 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methionine sulfoxide3226-65-1 Methionine sulfoxide454-41-1 Methionine sulfoxide62697-73-8

Elsewhere

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