6-Ethylmercaptopurine
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6-Ethylmercaptopurine
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CAS No:
5417-84-5
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Formula:
C7H8N4S
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Chemical Name:
6-Ethylmercaptopurine
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Synonyms:
9H-Purine,6-(ethylthio)-;1H-Purine,6-(ethylthio)-;Purine,6-(ethylthio)-;6-(Ethylthio)-9H-purine;6-Ethylmercaptopurine;6-(Ethylthio)purine;NSC 11588
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CAS No:
Characteristics
79.76000
1.46490
1.39g/cm3
196 °C
460.2ºC at 760mmHg
232.1ºC
1.758
LD50 parenteral in mouse: 164mg/kg
Safety Information
UN 2811 6.1/PG 3
3
40
22-36
UO8535000
Xn
P281
H351
|Warning|H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]|P201, P202, P281, P308+P313, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:180.23
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:180.04696745
Monoisotopic Mass:180.04696745
Topological Polar Surface Area:79.8
Heavy Atom Count:12
Complexity:154
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes