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5-Chloropyridine-2-thiol

5-Chloropyridine-2-thiol structure

CAS No:
40771-41-3
Formula:
C5H4ClNS
Chemical Name:
5-Chloropyridine-2-thiol
Synonyms:
5-Chloropyridine-2-thiol;3-Chloro-6-mercaptopyridine;5-Chloro-2-mercaptopyridine;5-Chloropyridine-2(1H)-thione;5-Chloropyridine-2-thiol 95%;5-Chloro-2(1H)-pyridinethione
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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5-Chloropyridine-2-thiol Basic Attributes

Molecular Weight：

145.61

Exact Mass：

144.975296

DSSTox ID：

DTXSID90397198

HScode：

2933399090

Characteristics

PSA：

44.1

XLogP3：

2.66

Density：

1.4±0.1 g/cm3

Melting Point：

195-198

Boiling Point：

223.8±20.0 °C at 760 mmHg

Flash Point：

89.2±21.8 °C

Refractive Index：

1.615

Storage Conditions：

2-8°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-37/38-41

safety instructions：

26-36

Marks：

Xi,Xn

Hazard note：

Irritant

Precautionary statement(s)：

P280-P301 + P312 + P330-P304 + P340 + P312-P305 + P351 + P338 + P310

Hazard Statements：

H302-H315-H318-H335

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:145.61
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:144.9752980
Monoisotopic Mass:144.9752980
Topological Polar Surface Area:44.1
Heavy Atom Count:8
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes