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)
  • Glycine, N,N-bis(phenylmethyl)-, [(4-chloro-3-nitrophenyl)methylene]hydrazide
  • I+/-,1-Dimethyl-5-(4-methylphenoxy)-3-(trifluoromethyl)-1H-pyrazole-4-ethanamine
  • 1-[2-Methyl-1-(methylsulfanyl)propan-2-yl]cyclopropan-1-amine
  • 2-amino-2-methyl-3-[1-(2-methylpropyl)-1H-pyrazol-4-yl]propan-1-ol
  • I+/--(3-Amino-1H-isoindol-1-ylidene)-3,4-dihydro-4-oxo-2-quinazolineacetonitrile
  • 7-Chloro-1,3-dihydro-3-(hydroxymethylene)-5-phenyl-2H-1,4-benzodiazepin-2-one
  • 1H-Pyrazole-3-carboxamide, 4-chloro-5-(4-fluorophenyl)-N,1-bis(phenylmethyl)-
  • 5,6-Dihydro-2,3-dimethoxy-8H-benzo[a][1,3]benzodioxolo[5,6-g]quinolizin-8-one
  • Pyridine, 3-(chloromethyl)-2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]-
  • 7-(I(2)-D-Glucopyranosyloxy)-5-hydroxy-3-(2-hydroxyphenyl)-4H-1-benzopyran-4-one
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