chempirical

Ticlopidine

C14H14ClNSCAS 55142-85-3263.78 g/mol

Open in Covalent MOL file
ClNS
Aryl halideTertiary amine

Properties

Molecular formula
C14H14ClNS
Molar mass
263.78 g/mol
Exact mass
263.0535 Da
Melting point
210–212 °C
Boiling point
117–120 °C (at 0.5 Torr)
logP
3.96Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
55142-85-3
SMILES
Clc1ccccc1CN1CCc2sccc2C1
InChIKey
PHWBOXQYWZNQIN-UHFFFAOYSA-N
InChI
InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2

Weigh it out

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

Names and synonyms

6 names
  • Thieno[3,2-c]pyridine, 5-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-
  • 5-[(2-Chlorophenyl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
  • PCR 5332
  • Tiklyd
  • Ticlid
  • Ticlop

Work with Ticlopidine

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

Ticlopidine hydrochloride53885-35-192 % similar Clopidogrel113665-84-246 % similar Clopidogrel bisulfate120202-66-641 % similar (R)-Clopidogrel bisulfate120202-71-341 % similar (±)-Clopidogrel bisulfate135046-48-941 % similar 2-(2-Chlorophenyl)ethylamine13078-80-338 % similar 1-(2-Bromoethyl)-2-chlorobenzene16793-91-238 % similar 2-Chlorobenzeneethanol19819-95-538 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook