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1,2,3,7,8,9-Hexahydro-2,8-dithioxo-6H-purin-6-one

1,2,3,7,8,9-Hexahydro-2,8-dithioxo-6H-purin-6-one structure

CAS No:
15986-32-0
Formula:
C5H4N4OS2
Chemical Name:
1,2,3,7,8,9-Hexahydro-2,8-dithioxo-6H-purin-6-one
Synonyms:
6H-Purin-6-one,1,2,3,7,8,9-hexahydro-2,8-dithioxo-;Uric acid,2,8-dithio-;1,2,3,7,8,9-Hexahydro-2,8-dithioxo-6H-purin-6-one;2,8-Mercaptohypoxanthine;NSC 22715;NSC 680829;2,8-Bis(sulfanylidene)-7,9-dihydro-3H-purin-6-one;2,8-Disulfanylidene-2,3,6,7,8,9-hexahydro-1H-purin-6-one;2,8-Dimercapto-7H-purin-6-ol;40069-43-0

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1,2,3,7,8,9-Hexahydro-2,8-dithioxo-6H-purin-6-one Basic Attributes

Molecular Weight：

200.24

Exact Mass：

200.24

EC Number：

240-120-2

UNII：

D7JFZ7X71T

NSC Number：

680829|22715

DSSTox ID：

DTXSID60166752

HScode：

2933990090

Characteristics

PSA：

129

XLogP3：

0.35

Density：

1.88±0.1 g/cm3(Predicted)

Melting Point：

>320℃

Boiling Point：

572.8±60.0 °C at 760 mmHg

Flash Point：

300.2±32.9 °C

Refractive Index：

1.956

Vapor Pressure：

0.00048mmHg at 25°C

Safety Information

hazard class code：

36/37/38

safety instructions：

26-37

RTECS Number：

UO9050000

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：

2,8-dimercapto-6-hydroxypurine

Computed Properties

Molecular Weight:200.2
XLogP3:-0.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:3
Exact Mass:199.98265311
Monoisotopic Mass:199.98265311
Topological Polar Surface Area:129
Heavy Atom Count:12
Complexity:334
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,2,3,7,8,9-Hexahydro-2,8-dithioxo-6H-purin-6-one

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

1,2,3,7,8,9-Hexahydro-2,8-dithioxo-6H-purin-6-one

SDS

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