6-(Benzylthio)purin-2-ol

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Names

[ CAS No. ]:
5446-42-4

[ Name ]:
6-(Benzylthio)purin-2-ol

[Synonym ]:
6-benzylmercapto-3,7-dihydro-purin-2-one

Chemical & Physical Properties

[ Density]:
1.51g/cm3

[ Boiling Point ]:
662ºC at 760mmHg

[ Molecular Formula ]:
C12H10N4OS

[ Molecular Weight ]:
258.29900

[ Flash Point ]:
354.2ºC

[ Exact Mass ]:
258.05800

[ PSA ]:
99.73000

[ LogP ]:
1.93850

[ Index of Refraction ]:
1.77

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UP0787800
CHEMICAL NAME :
Purin-2-ol, 6-(benzylthio)-
CAS REGISTRY NUMBER :
5446-42-4
LAST UPDATED :
197901
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H10-N4-O-S
MOLECULAR WEIGHT :
258.32
WISWESSER LINE NOTATION :
T56 BN DM FN HNJ GQ IS1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03047

Safety Information

[ HS Code ]:
2933990090

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 6-Amino-9H-purin-2-ol sulfate (2:1)
  • 6-(Dimethylamino)-4-methoxy-2-naphthoic acid
  • Methyl 4-acetoxy-6-(dimethylamino)-2-naphthoate
  • 2H-Purin-2-one,6-(dimethylamino)-1,3-dihydro-
  • Xanthosine, 6-thio-
  • 2H-Purin-2-one, 1,3-dihydro-6-methyl- (9CI)
  • 6-(4-Methylpiperidin-1-yl)pyrazine-2-boronic acid pinacol ester
  • 2-Ethoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)pyrazine
  • 2-Isopropoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
  • 2-(cyclopentyloxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)Pyrazine
  • 6-(Iso-propyl)pyrazine-2-boronic acid pinacol ester
  • 2-Cyclopropyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
  • 6-(Cyclopentyl)pyrazine-2-boronic acid pinacol ester
  • 6-Hydroxypyrazin-2-ylboronic acid pinacol ester
  • 5-(Methoxy-d3)-pyridine-2-boronic acid pinacol ester
  • 6-(4-tert-Butylphenyl)pyridine-2-boronic acid pinacol ester
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