Thiooxine hydrochloride

C9H8ClNSCAS 34006-16-1197.68 g/mol

Open in Covalent MOL file
HClSHN
Thiol

Properties

Molecular formula
C9H8ClNS
Molar mass
197.68 g/mol
Exact mass
197.0066 Da
logP
2.95Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
34006-16-1
SMILES
Cl.Sc1cccc2cccnc12
InChIKey
RWBSBQAUAJSGHY-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NS.ClH/c11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6,11H;1H

Weigh it out

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

Names and synonyms

5 names
  • 8-Quinolinethiol, hydrochloride (1:1)
  • 8-Quinolinethiol, hydrochloride
  • 8-Mercaptoquinoline hydrochloride
  • Thioxine hydrochloride
  • 8-Mecaptoquinoline hydrochloride

Work with Thiooxine 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

1,10-Phenanthroline hydrochloride3829-86-563 % similar 1,10-Phenanthroline66-71-752 % similar 8-Bromoquinoline16567-18-348 % similar 8-Chloroquinoline611-33-648 % similar 8-Bromomethylquinoline7496-46-047 % similar 8-Iodo quinoline1006-47-947 % similar 8-Hydroxyquinoline148-24-347 % similar 8-Fluoroquinoline394-68-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(4-Chlorophenethyl) isothicyanate17608-10-5 (5-Chlorobenzo[b]thiophen-3-yl)methanamine71625-90-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook