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6-Aminothiouracil

6-Aminothiouracil structure

CAS No:
1004-40-6
Formula:
C4H5N3OS
Chemical Name:
6-Aminothiouracil
Synonyms:
4-Amino-2-thiouracil;4-AMINO-6-HYDROXY-2-MERCAPTOPYRIMIDINE;AURORA 13795;OTAVA-BB BB7013910011;6-AMINO-2-THIOXO-2,3-DIHYDRO-1H-PYRIMIDIN-4-ONE;6-AMINO-2-THIOXO-2,3-DIHYDROPYRIMIDIN-4(1H)-ONE;6-Aminothiouracil;6-amino-2,3-dihydro-2-thioxo-4(1h)-pyrimidinone
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

White Solid

Poison by intraperitoneal route.When heated to decomposition it emits toxic vapors ofNOx and SOx.

6-Aminothiouracil Basic Attributes

Molecular Weight：

143.17

Exact Mass：

143.17

EC Number：

213-722-8

NSC Number：

202018|1587

TSCA：

TSCA listed

Color/Form：

Off-white

HScode：

2933599590

Characteristics

PSA：

99.2

XLogP3：

-1

Appearance：

White Solid

Density：

1.397 (estimate)

Melting Point：

>300C (dec.)

Boiling Point：

246.5°C

Flash Point：

228.8±29.6 °C

Refractive Index：

1.7490 (estimate)

Water Solubility：

256.3mg/L(25 ºC)

Toxicity：

LD50 ipr-mus: 370 mg/kg ARZNAD 31,1713,81

Flammability characteristics：

Flammable; high temperature produces toxic nitrogen oxide and sulfur oxide fumes

PKA：

7.92±0.20(Predicted)

Critical Temperature & Pressure：

Keep in dark place,Inert atmosphere,Room temperature

Safety Information

hazard class code：

RTECS Number：

UW0495000

Marks：

Storage features：

Warehouse ventilated, low temperature and dry

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH Entry Terms：

4-amino-6-hydroxy-2-mercaptopyrimidine

6-Aminothiouracil Use and Manufacturing

Methods of Manufacturing

At room temperature, 101.5 g (1.88 mol) of sodium methoxide was weighed into a 3 L reaction flask of 670 g of ethanol, And the mixture was dissolved by adding 67.3 g (0.88 mol) of thiourea. Heated to 55 ° C, 100 g (0.884 mol) of ethyl cyanoacetate was added to the reaction flask and heated to reflux, 4.5 h after refluxing, TLC reaction is completed, down to 15 , filtration, filter cake with ethanol 170g once, Remove the filter cake, add to the 3L reaction flask, add water, add 1.3kg stirring to dissolve, 20 below the addition of acetic acid, adjust the PH = 4, a large number of solid precipitation. Suction filter. The filter cake was dried overnight at 45 ° C, The product was 115.4 g, yield 91.7percent.

Uses

LAbelled derivative of 6-Amino-2-thiouracil as novel, potent, and selective A3 adenosine receptor antagonists.

Manufacturing Info：

4(1H)-Pyrimidinone, 6-amino-2,3-dihydro-2-thioxo-: INACTIVE

Computed Properties

Molecular Weight:143.17
XLogP3:-1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Exact Mass:143.01533297
Monoisotopic Mass:143.01533297
Topological Polar Surface Area:99.2
Heavy Atom Count:9
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ethyl cyanoacetate

Ethanol

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6-Aminothiouracil 99% Powder Professional Producer Greenbo

CAS No.: 1004-40-6

Grade: Pharmaceutical Grade

Content: 99%

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