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2(1H)-Quinolinethione

2(1H)-Quinolinethione structure

CAS No:
2637-37-8
Formula:
C9H7NS
Chemical Name:
2(1H)-Quinolinethione
Synonyms:
2(1H)-Quinolinethione;Carbostyril,thio-;2-Quinolinethiol;2-Mercaptoquinoline;Thiocarbostyril;2-Thioquinolone;2-Quinolinethione;NSC 408468;NSC 43642;2-Thioquinoline;1H-Quinoline-2-thione;1,2-Dihydroquinoline-2-thione;4481-48-5
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2(1H)-Quinolinethione Basic Attributes

Molecular Weight：

161.22

Exact Mass：

161.22

EC Number：

220-132-4

UNII：

XW9BW0P3YZ

NSC Number：

408468|43642

DSSTox ID：

DTXSID4062569

HScode：

2933499090

Characteristics

PSA：

44.1

XLogP3：

2.52350

Appearance：

Yellow to orange Powder

Density：

1.27g/cm3

Melting Point：

187 °C

Boiling Point：

178 °C @ Press: 0.5 Torr

Flash Point：

111.7ºC

Refractive Index：

1.707

Water Solubility：

soluble in water. (50 g/Lat 20°C)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39

RTECS Number：

FG7360000

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2(1H)-Quinolinethione Use and Manufacturing

Manufacturing Info：

2(1H)-Quinolinethione: INACTIVE

Computed Properties

Molecular Weight:161.23
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:161.02992040
Monoisotopic Mass:161.02992040
Topological Polar Surface Area:44.1
Heavy Atom Count:11
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes