chempirical

2-Azaniumyl-3-((2-azaniumyl-2-carboxylatoethyl)disulfanyl)propanoate

C6H12N2O4S2CAS 923-32-0240.29 g/mol

Open in Covalent MOL file
NH2SSNH2OOHOHO
Carboxylic acidDisulfidePrimary amine

Properties

Molecular formula
C6H12N2O4S2
Molar mass
240.29 g/mol
Exact mass
240.0238 Da
Melting point
240 °C (decomposes)
logP
-0.81Crippen estimate
Polar surface area
126.6 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
7

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
923-32-0
SMILES
NC(CSSCC(N)C(=O)O)C(=O)O
InChIKey
LEVWYRKDKASIDU-UHFFFAOYSA-N
InChI
InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)

Weigh it out

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

Names and synonyms

5 names
  • Cystine
  • Cystine, DL-
  • DL-Cystine
  • NSC 203781
  • 2-Amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid

Work with 2-Azaniumyl-3-((2-azaniumyl-2-carboxylatoethyl)disulfanyl)propanoate

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.

Cystine56-89-3Defined stereoisomer D-Cystine349-46-2Defined stereoisomer Cystine dihydrochloride30925-07-6Salt, defined stereoisomer L-Cystine, hydrochloride (1:?)34760-60-6Salt, defined stereoisomer

Similar compounds

DL-Lanthionine3183-08-275 % similar Djenkolic acid498-59-969 % similar S-Methylcysteine1187-84-467 % similar 3-[(1,1-Dimethylethyl)dithio]-L-alanine30044-51-067 % similar Homocystine462-10-263 % similar Homocystine626-72-263 % similar DL-Homocystine870-93-963 % similar S-Allylcysteine21593-77-161 % similar

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

Elsewhere

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