6-Thioxanthine
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6-Thioxanthine
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CAS No:
2002-59-7
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Formula:
C5H4N4OS
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Chemical Name:
6-Thioxanthine
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Synonyms:
2H-Purin-2-one,1,3,6,9-tetrahydro-6-thioxo-;Xanthine,6-thio-;2H-Purin-2-one,1,3,6,7-tetrahydro-6-thioxo-;1,3,6,9-Tetrahydro-6-thioxo-2H-purin-2-one;6-Thioxanthine;2-Hydroxy-6-mercaptopurine;6-Mercaptoxanthine;2-Hydroxy-6-thiopurine;3,6-Dihydro-6-thioxo-9H-purine-2(1H)-one;NSC 12160;2-Hydroxy-6,7-dihydro-1H-purine-6-thione;3782-88-5
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CAS No:
Safety Information
20/21/22
24/25-36
Xn
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, 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:-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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