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1,7,8,9-Tetrahydro-8-thioxo-6H-purin-6-one

1,7,8,9-Tetrahydro-8-thioxo-6H-purin-6-one structure

CAS No:
6305-94-8
Formula:
C5H4N4OS
Chemical Name:
1,7,8,9-Tetrahydro-8-thioxo-6H-purin-6-one
Synonyms:
6H-Purin-6-one,1,7,8,9-tetrahydro-8-thioxo-;Hypoxanthine,8-mercapto-;1,7,8,9-Tetrahydro-8-thioxo-6H-purin-6-one;6-Hydroxy-8-mercaptopurine;8-Mercaptohypoxanthine;8-Thiohypoxanthine;SQ 21978;NSC 22713;116942-14-4;127956-81-4;41740-02-7

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1,7,8,9-Tetrahydro-8-thioxo-6H-purin-6-one Basic Attributes

Molecular Weight：

168.17600

Exact Mass：

168.18

EC Number：

228-617-2

NSC Number：

22713

DSSTox ID：

DTXSID20212380

HScode：

2933990090

Characteristics

PSA：

109.42000

XLogP3：

0.30880

Density：

2.08g/cm3

Boiling Point：

280.4ºC at 760 mmHg

Flash Point：

123.4ºC

Refractive Index：

2.019

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, 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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+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:168.18
XLogP3:-1.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Exact Mass:168.01058194
Monoisotopic Mass:168.01058194
Topological Polar Surface Area:97.6
Heavy Atom Count:11
Complexity:306
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,7,8,9-Tetrahydro-8-thioxo-6H-purin-6-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

1,7,8,9-Tetrahydro-8-thioxo-6H-purin-6-one

SDS

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