chempirical

DL-Homocystine

C8H16N2O4S2CAS 870-93-9268.35 g/mol

Open in Covalent MOL file
NH2SSNH2OOHOHO
Carboxylic acidDisulfidePrimary amine

Properties

Molecular formula
C8H16N2O4S2
Molar mass
268.35 g/mol
Exact mass
268.0551 Da
logP
-0.03Crippen estimate
Polar surface area
126.6 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
9
Stereocentres
S, Sin 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
870-93-9
SMILES
N[C@@H](CCSSCC[C@H](N)C(=O)O)C(=O)O
InChIKey
ZTVZLYBCZNMWCF-IOMOGOHMNA-N
InChI
InChI=1/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/t5-,6-/s2

Weigh it out

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

Names and synonyms

6 names
  • Butanoic acid, 4,4′-dithiobis[2-amino-, (2R,2′R)-rel-
  • Butyric acid, 4,4′-dithiobis[2-amino-, DL-
  • Butanoic acid, 4,4′-dithiobis[2-amino-, (R*,R*)-(±)-
  • Rel-(2R,2′R)-4,4′-Dithiobis[2-aminobutanoic acid]
  • DL-4,4′-Dithiobis(2-aminobutyric acid)
  • NSC 226570

Work with DL-Homocystine

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.

Homocystine462-10-2Stereo not defined Homocystine626-72-2

Similar compounds

D-Methionine348-67-469 % similar (+-)-Methionine59-51-869 % similar Methionine63-68-369 % similar Diaminopimelic acid583-93-765 % similar Ethionine13073-35-365 % similar D-Ethionine535-32-065 % similar DL-Ethionine67-21-065 % similar Homocysteine454-29-564 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook