L-Homocysteine

C₄H₉NO₂SCAS 6027-13-0135.18 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine Thiol

Properties

Molecular formula: C₄H₉NO₂S
Molar mass: 135.18 g/mol
Exact mass: 135.0354 Da
Melting point: 232.5 °C
logP: -0.28Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

6027-13-0

SMILES

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

InChIKey

FFFHZYDWPBMWHY-VKHMYHEASA-N

InChI

InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1

Weigh it out

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

Names and synonyms

8 names

Butyric acid, 2-amino-4-mercapto-, L-
Butanoic acid, 2-amino-4-mercapto-, (S)-
2-Amino-4-mercapto-L-butyric acid
Homocysteine
(S)-2-Amino-4-mercaptobutanoic acid
(S)-Homocysteine
2-Amino-4-mercaptobutyric acid
NSC 43117

Work with L-Homocysteine

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

Diaminopimelic acid583-93-765 % similar Homocystine462-10-264 % similar Homocystine626-72-264 % similar Dl-homocystine870-93-964 % similar Cysteine3374-22-963 % similar Cysteine52-90-463 % similar D-Cysteine921-01-763 % similar L-2,4-Diaminobutyric acid1758-80-161 % similar

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

Same formula

S-Methylcysteine1187-84-4 Homocysteine454-29-5 1-Methylcyclopropanesulfonamide669008-26-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook