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2-Thioxanthine

2-Thioxanthine structure

CAS No:
2487-40-3
Formula:
C5H4N4OS
Chemical Name:
2-Thioxanthine
Synonyms:
6H-Purin-6-one,1,2,3,9-tetrahydro-2-thioxo-;Xanthine,2-thio-;6H-Purin-6-one,1,2,3,7-tetrahydro-2-thioxo-;1,2,3,9-Tetrahydro-2-thioxo-6H-purin-6-one;6-Hydroxy-2-mercaptopurine;2-Mercapto-6-hydroxypurine;6-Hydroxypurine-2-thiol;2-Thioxanthine;2-Thio-6-hydroxypurine;2-Mercaptohypoxanthine;2,3-Dihydro-2-thioxo-9H-purin-6(1H)-one;NSC 36822;NSC 680828;2-Sulfanylidene-2,3,6,7-tetrahydro-1H-purin-6-one;2-Thioxo-2,3-dihydro-1H-purin-6(7H)-one;2-Sulfanyl-7H-purin-6-ol;2-Thioxo-1,2,3,7-tetrahydro-6H-purin-6-one;2-Mercapto-1,9-dihydro-purin-6-one;2-Sulfanyl-1H-purin-6-ol;2-Sulfanyl-6,7-dihydro-1H-purin-6-one;2-Sulfanylidene-3,7-dihydropurin-6-one;2-Sulfanyl-6,9-dihydro-1H-purin-6-one;69-90-9;3240-64-0;5167-21-5;6050-40-4
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-Thioxanthine Basic Attributes

Molecular Weight：

168.174

Exact Mass：

168.18

EC Number：

219-636-7

UNII：

PL0PPI1U9A

NSC Number：

680828|36822

DSSTox ID：

DTXSID7062459

HScode：

2933990090

Characteristics

PSA：

102

XLogP3：

0.30880

Density：

1.78g/cm3

Melting Point：

>360 °C

Refractive Index：

2.019

Water Solubility：

Slightly soluble in water.

Safety Information

hazard class code：

36/37/38

safety instructions：

S26-S37

RTECS Number：

UP0825000

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

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 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-thioxanthene

2-Thioxanthine Use and Manufacturing

Manufacturing Info：

6H-Purin-6-one, 1,2,3,9-tetrahydro-2-thioxo-: ACTIVE

Computed Properties

Molecular Weight:168.18
XLogP3:-0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Exact Mass:168.01058194
Monoisotopic Mass:168.01058194
Topological Polar Surface Area:102
Heavy Atom Count:11
Complexity:219
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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China Most Professional Manufacturer Supply High Quality 2-Thioxanthine CAS 2487-40-3

CAS No.: 2487-40-3

Grade: Pharmaceutical Grade

Content: 99%

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