chempirical

Homocysteine thiolactone hydrochloride

C4H8ClNOSCAS 6038-19-3153.62 g/mol

Open in Covalent MOL file
HClNH2SO
Primary amineSulfide

Properties

Molecular formula
C4H8ClNOS
Molar mass
153.62 g/mol
Exact mass
153.0015 Da
Melting point
200 °C (decomposes)
logP
0.40Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
6038-19-3
SMILES
Cl.NC1CCSC1=O
InChIKey
ZSEGSUBKDDEALH-UHFFFAOYSA-N
InChI
InChI=1S/C4H7NOS.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H

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Names and synonyms

9 names
  • 2(3H)-Thiophenone, 3-aminodihydro-, hydrochloride (1:1)
  • 2(3H)-Thiophenone, 3-aminodihydro-, hydrochloride, (±)-
  • 2(3H)-Thiophenone, 3-aminodihydro-, hydrochloride
  • DL-Homocysteine thiolactone hydrochloride
  • HCTL hydrochloride
  • ADT
  • NSC 22879
  • 3-Aminodihydrothiophen-2(3H)-one hydrochloride
  • 2-Oxothiolan-3-aminium chloride

Work with Homocysteine thiolactone hydrochloride

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

L-Methionine O-ethyl ester hydrochloride2899-36-745 % similar Methionine methyl ester hydrochloride2491-18-143 % similar L-Methionine isopropyl ester hydrochloride85391-05-541 % similar D-Methionine348-67-440 % similar Methionine63-68-340 % similar (R)-(+)-Alpha-amino-gamma-butyrolactone hydrochloride104347-13-939 % similar (3S)-3-Aminodihydro-2(3H)-furanone hydrochloride2185-03-739 % similar Homocystine462-10-239 % similar

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

Elsewhere

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