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7,9-dihydro-3H-purine-6,8-dithione

7,9-dihydro-3H-purine-6,8-dithione structure

CAS No:
24079-37-6
Formula:
C5H4N4S2
Chemical Name:
7,9-dihydro-3H-purine-6,8-dithione
Synonyms:
7,9-dihydro-1H-purine-6,8-dithione; Purine-6,8-dithiol; Dithiopurine; 7,9-Dihydro-1H-purin-6,8-dithion; 6,8-DIMERCAPTOPURINE;

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7,9-dihydro-3H-purine-6,8-dithione Basic Attributes

Molecular Weight：

184.24200

Exact Mass：

183.98773849

NSC Number：

22717

DSSTox ID：

DTXSID70396725

HScode：

2933990090

Characteristics

PSA：

132.06000

XLogP3：

0.93030

Density：

1.99g/cm3

Boiling Point：

285.7ºC at 760 mmHg

Flash Point：

126.6ºC

Refractive Index：

2.042

Vapor Pressure：

0.00276mmHg at 25°C

Safety Information

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:184.2
XLogP3:-0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:2
Exact Mass:183.98773849
Monoisotopic Mass:183.98773849
Topological Polar Surface Area:113
Heavy Atom Count:11
Complexity:304
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7,9-dihydro-3H-purine-6,8-dithione

Basic Attributes
Characteristics
Safety Information
Computed Properties

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