chempirical

Chlorprothixene

C18H18ClNSCAS 113-59-7315.86 g/mol

Open in Covalent MOL file
NSCl
AlkeneAryl halideSulfideTertiary amine

Properties

Molecular formula
C18H18ClNS
Molar mass
315.86 g/mol
Exact mass
315.0848 Da
Melting point
97–98 °C
Boiling point
160 °C (at 0.04 Torr)
logP
5.19Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3
Double bonds
ZE/Z, in SMILES order

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P301+P316, P304+P340, P319, P321, P330, P403+P233, P405, P501

Identifiers

CAS number
113-59-7
SMILES
CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21
InChIKey
WSPOMRSOLSGNFJ-AUWJEWJLSA-N
InChI
InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-

Weigh it out

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

Names and synonyms

32 names · show all
  • 1-Propanamine, 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, (3Z)-
  • 1-Propanamine, 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, (Z)-
  • Thioxanthene-δ9,γ-propylamine, 2-chloro-N,N-dimethyl-, (Z)-
  • 9H-Thioxanthene, 1-propanamine deriv.
  • (3Z)-3-(2-Chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-1-propanamine
  • MK 184
  • N 714
  • Ro 4-0403
  • CPT
  • CPX
  • Iaractan
  • Taractan
  • Tarasan
  • Truxal
  • Chlorprothixen
  • Chlorprotixene
  • α-Chlorprothixene
  • Chlorprotixen
  • Chlothixen
  • Traquilan
  • Trictal
  • Paxyl
  • Truxil
  • Vetacalm
  • Rentovet
  • Tactaran
  • cis-Chlorprothixene
  • Tardan
  • Ro 4-04033
  • Truxaletten
  • Chorprothixene
  • Cloxan

Work with Chlorprothixene

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.

Chlorprothixene hydrochloride6469-93-8Salt

Similar compounds

Zuclopenthixol53772-83-169 % similar Zotepine26615-21-455 % similar Amitriptyline50-48-651 % similar Melitracen hydrochloride10563-70-948 % similar Amitriptyline hydrochloride549-18-848 % similar Cyclobenzaprine hydrochloride6202-23-948 % similar Chlorpromazine hydrochloride69-09-046 % similar Flupentixol dihydrochloride2413-38-944 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook