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2,6-Diamino-4(3H)-pyrimidinethione

2,6-Diamino-4(3H)-pyrimidinethione structure

CAS No:
56-08-6
Formula:
C4H6N4S
Chemical Name:
2,6-Diamino-4(3H)-pyrimidinethione
Synonyms:
4(3H)-Pyrimidinethione,2,6-diamino-;4(1H)-Pyrimidinethione,2,6-diamino-;4-Pyrimidinethiol,2,6-diamino-;2,6-Diamino-4(3H)-pyrimidinethione;2,4-Diamino-6-mercaptopyrimidine;2,4-Diaminopyrimidine-6-thione;NSC 12888;2,4-Diaminopyrimidine-6-thiol;2,6-Diaminopyrimidine-4-thiol;2,6-Diamino-1H-pyrimidine-4-thione;2,6-Diamino-1,4-dihydropyrimidine-4-thione;2,6-Diamino-3,4-dihydropyrimidine-4-thione
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2,6-Diamino-4(3H)-pyrimidinethione Basic Attributes

Molecular Weight：

142.18

Exact Mass：

142.18

EC Number：

279-657-2

NSC Number：

12888

DSSTox ID：

DTXSID10230851

Characteristics

PSA：

109

XLogP3：

1.09210

Density：

1.78 g/cm3

Melting Point：

>230 °C (decomp) @ Solvent: Water

Boiling Point：

289.1ºC at 760 mmHg

Flash Point：

128.7ºC

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|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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|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

Computed Properties

Molecular Weight:142.19
XLogP3:-1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:2
Exact Mass:142.03131738
Monoisotopic Mass:142.03131738
Topological Polar Surface Area:109
Heavy Atom Count:9
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 56-08-6

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Guide of 2,6-Diamino-4(3H)-pyrimidinethione

Basic Attributes
Characteristics
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Computed Properties
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2,6-Diamino-4(3H)-pyrimidinethione

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