chempirical

(±)-Homocysteic acid

C4H9NO5SCAS 504-33-6183.18 g/mol

Open in Covalent MOL file
NH2SOOOHOHO
AlcoholCarboxylic AcidPrimary AmineSulfone

Properties

Molecular formula
C4H9NO5S
Molar mass
183.18 g/mol
Exact mass
183.0201 Da
Density
1.71 g/mL
Melting point
261–262 °C (decomposes)
logP
-1.32Crippen estimate
Polar surface area
117.7 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
4

Identifiers

CAS number
504-33-6
SMILES
NC(CCS(=O)(=O)O)C(=O)O
InChIKey
VBOQYPQEPHKASR-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)

Weigh it out

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

Names and synonyms

6 names
  • Butanoic acid, 2-amino-4-sulfo-
  • Butyric acid, 2-amino-4-sulfo-, DL-
  • Butanoic acid, 2-amino-4-sulfo-, (±)-
  • 2-Amino-4-sulfobutanoic acid
  • DL-Homocysteic acid
  • Homocysteic acid

Work with (±)-Homocysteic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

PubChem CAS Common Chemistry NIST WebBook