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8-Quinolinethiol,hydrochloride (1:1)(CAS No. 34006-16-1)

8-Quinolinethiol,hydrochloride (1:1) C9H7NS.ClH (cas 34006-16-1) Molecular Structure

34006-16-1 Structure

Identification and Related Records

【Name】
8-Quinolinethiol,hydrochloride (1:1)
【CAS Registry number】
34006-16-1
【Synonyms】
8-Quinolinethiol,hydrochloride (8CI,9CI)
8-Mecaptoquinoline hydrochloride
8-Mercaptoquinolinehydrochloride
Thiooxine hydrochloride
Thioxine hydrochloride
【EINECS(EC#)】
251-785-3
【Molecular Formula】
C9H7 N S . Cl H (Products with the same molecular formula)
【Molecular Weight】
197.68
【Inchi】
InChI=1/C9H7NS.ClH/c11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6,11H;1H
【Canonical SMILES】
C1=CC2=C(C(=C1)S)N=CC=C2
【MOL File】
34006-16-1.mol

Chemical and Physical Properties

【Appearance】
white to light yellow crystal powder
【Density】
g/cm3
【Melting Point】
165℃ (dec.)
【Boiling Point】
303.8°Cat760mmHg
【Flash Point】
137.5°C
【Color/Form】
yellow
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:161.22358 [g/mol]
Molecular Formula:C9H7NS
XLogP3:2
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:0
Tautomer Count:2
Exact Mass:161.02992
MonoIsotopic Mass:161.02992
Topological Polar Surface Area:13.9
Heavy Atom Count:11
Formal Charge:0
Complexity:138
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xi:Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S36
【Safety】

Safty information about Quinoline-8-thiol hydrochloride (CAS NO.34006-16-1) is:
Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3
F: 10

【Specification】

 Quinoline-8-thiol hydrochloride , its cas register number is 34006-16-1. It also can be called EINECS 251-785-3 ; Quinoline-8-thiol HCl .It is a white to light yellow crystal powder.

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