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6-Phenyl-2-thiouracil

6-Phenyl-2-thiouracil structure

CAS No:
36822-11-4
Formula:
C10H8N2OS
Chemical Name:
6-Phenyl-2-thiouracil
Synonyms:
4(1H)-Pyrimidinone,2,3-dihydro-6-phenyl-2-thioxo-;Uracil,6-phenyl-2-thio-;2,3-Dihydro-6-phenyl-2-thioxo-4(1H)-pyrimidinone;6-Phenyl-2-thiouracil;6-Phenylthiouracil;2-Mercapto-6-phenylpyrimidin-4-ol;Fenucil;NSC 163991;NSC 42600;2-Mercapto-6-phenyl-1H-pyrimidin-4-one;5590-94-3;39190-04-0
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

White powder

6-Phenyl-2-thiouracil is a member of pyrimidines.

6-Phenyl-2-thiouracil Basic Attributes

Molecular Weight：

204.25

Exact Mass：

204.25

EC Number：

253-227-4

NSC Number：

163991|42600

DSSTox ID：

DTXSID80190291

HScode：

2933599090

Characteristics

PSA：

73.2

XLogP3：

1.3

Density：

1.37 g/cm3

Melting Point：

263-264.5 °C @ Solvent: Water

Boiling Point：

462.3°C at 760 mmHg

Flash Point：

233.4ºC

Refractive Index：

1.702

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

6-phenylthiouracil

6-Phenyl-2-thiouracil Use and Manufacturing

To a solution of compound 12.1 (2 g, 10.41 mmol) in EtOH (15 mL) was added EtONa (7 mL, 18.7 mmol) and compound 1.2 (1.18 g, 15.61 mmol). Stirring was continued at reflux overnight. The solvent was removed under reduced pressure. The reaction was taken up with water, acidified to pH 3, extracted with EtOAc (3 x 20 mL) washed with brine and dried over Na2SO4.The crude was purified by flash chromatography, eluting with CH2C12/MeOH (2.5percent for product) affording the title compound 12.2 (500 mg, 2.44 mmol) as white solid. Yield 24percent.

Computed Properties

Molecular Weight:204.25
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:204.03573406
Monoisotopic Mass:204.03573406
Topological Polar Surface Area:73.2
Heavy Atom Count:14
Complexity:293
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 36822-11-4

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