chempirical

Hexythiazox

C17H21ClN2O2SCAS 78587-05-0352.88 g/mol

Open in Covalent MOL file
ClSONONH
Aryl halideSulfide

Properties

Molecular formula
C17H21ClN2O2S
Molar mass
352.88 g/mol
Exact mass
352.1012 Da
Melting point
108 °C
logP
5.19Crippen estimate
Polar surface area
52.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
78587-05-0
SMILES
C[C@H]1[C@H](c2ccc(Cl)cc2)SC(=O)N1C(O)=NC1CCCCC1
InChIKey
XGWIJUOSCAQSSV-VFYXSWHGNA-N
InChI
InChI=1/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/s2

Weigh it out

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

Names and synonyms

18 names · show all
  • 3-Thiazolidinecarboxamide, 5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-, (4R,5R)-rel-
  • 3-Thiazolidinecarboxamide, 5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-, trans-
  • Rel-(4R,5R)-5-(4-Chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-3-thiazolidinecarboxamide
  • Nissorun
  • NA 73
  • Trevi
  • Matacar
  • Calibre
  • Cesar
  • Ordoval
  • Savey
  • Savey PM
  • Hexygon
  • Zeldox
  • Onager
  • GWN 2106
  • Maiden
  • Maccomite

Work with Hexythiazox

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

4-Chloro-α-methylbenzeneacetic acid938-95-436 % similar 2-(4-Chlorophenyl)-3-methylbutyric acid2012-74-033 % similar Lomustine13010-47-433 % similar trans-4-(4-Chlorophenyl)cyclohexanecarboxylic acid49708-81-833 % similar 4-(4-Chlorophenyl)cyclohexanecarboxylic acid95233-37-733 % similar 4-Chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid284493-65-832 % similar (βR)-4-Chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid479064-93-232 % similar (S)-3-Amino-3-(4-chloro-phenyl)-propionic acid131690-60-332 % similar

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

Same formula

Tinoridine hydrochloride25913-34-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook