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4-(4-Chlorophenyl)-2(1H)-pyrimidinethione

4-(4-Chlorophenyl)-2(1H)-pyrimidinethione structure

CAS No:
175203-08-4
Formula:
C10H7ClN2S
Chemical Name:
4-(4-Chlorophenyl)-2(1H)-pyrimidinethione
Synonyms:
2(1H)-Pyrimidinethione,4-(4-chlorophenyl)-;4-(4-Chlorophenyl)-2(1H)-pyrimidinethione;4-(4-Chlorophenyl)pyrimidine-2-thiol;4-(4-Chlorophenyl)-2-mercaptopyrimidine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4-(4-Chlorophenyl)-2(1H)-pyrimidinethione Basic Attributes

Molecular Weight：

222.69

Exact Mass：

222.69

DSSTox ID：

DTXSID00370957

HScode：

2933599090

Characteristics

PSA：

56.5

XLogP3：

1.22

Density：

1.3±0.1 g/cm3

Melting Point：

210 °C

Boiling Point：

403.4±37.0 °C at 760 mmHg

Flash Point：

197.8±26.5 °C

Refractive Index：

1.645

Water Solubility：

26.7 [ug/mL]

Vapor Pressure：

2.79E-05mmHg at 25°C

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:222.69
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:222.0018471
Monoisotopic Mass:222.0018471
Topological Polar Surface Area:56.5
Heavy Atom Count:14
Complexity:291
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(4-Chlorophenyl)-2(1H)-pyrimidinethione

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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4-(4-Chlorophenyl)-2(1H)-pyrimidinethione

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