6H-Purine-6-thione,1,2,3,9-tetrahydro-, 3-oxide

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Names

[ CAS No. ]:
145-95-9

[ Name ]:
6H-Purine-6-thione,1,2,3,9-tetrahydro-, 3-oxide

[Synonym ]:
6-Mercaptopurine oxide
6-Mercaptopurine 3-oxide
Mercaptopurine 3-N-oxide
6-Mercaptopurine 3-N-oxide
6-Mercapto-purin-3-N-oxid
6-Mercapto-purin-3-oxid
FDA 0188
Purin-6-thiol,3-N-oxide
Purine-6-thiol,3-oxide
3-oxy-1,7(9)-dihydro-purine-6-thione

Chemical & Physical Properties

[ Density]:
1.93g/cm3

[ Boiling Point ]:
583.2ºC at 760mmHg

[ Molecular Formula ]:
C5H4N4OS

[ Molecular Weight ]:
168.17600

[ Flash Point ]:
306.5ºC

[ Exact Mass ]:
168.01100

[ PSA ]:
105.83000

[ LogP ]:
0.67510

[ Vapour Pressure ]:
1.91E-14mmHg at 25°C

[ Index of Refraction ]:
1.945

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UP0525000
CHEMICAL NAME :
Purin-6-thiol, 3-N-oxide
CAS REGISTRY NUMBER :
145-95-9
LAST UPDATED :
198910
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C5-H4-N4-O-S
MOLECULAR WEIGHT :
168.19
WISWESSER LINE NOTATION :
T56 BM DN FN HNJ FO ISH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARPAAQ Archives of Pathology. (Chicago, IL) V.5(3)-50(3), 1928-50; V.70-99, 1960-75. For publisher information, see APLMAS. Volume(issue)/page/year: 86,395,1968 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
100 mg/kg
SEX/DURATION :
female 11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Specific Developmental Abnormalities - urogenital system
REFERENCE :
ARPAAQ Archives of Pathology. (Chicago, IL) V.5(3)-50(3), 1928-50; V.70-99, 1960-75. For publisher information, see APLMAS. Volume(issue)/page/year: 86,395,1968
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
100 mg/kg
SEX/DURATION :
female 11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
ARPAAQ Archives of Pathology. (Chicago, IL) V.5(3)-50(3), 1928-50; V.70-99, 1960-75. For publisher information, see APLMAS. Volume(issue)/page/year: 86,395,1968

Related Compounds

  • 6H-Purin-6-one,1,2,3,9-tetrahydro-2-hydroxy-, 3-oxide
  • 6H-Purine-6-thione,1,9-dihydro-9-(tetrahydro-2H-pyran-2-yl)-
  • 6H-Purine-6-thione,1,9-dihydro-9-(2,3,5-tri-O-acetyl-b-D-xylofuranosyl)-
  • 6H-Purine-6-thione,1,9-dihydro-9-[(3-nitrophenyl)methyl]-
  • 6H-Purine-6-thione,1,9-dihydro-9-b-L-ribofuranosyl-
  • 6H-Purine-6-thione,1,9-dihydro-9-b-D-xylofuranosyl-
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • (3-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)pyrrolidin-1-yl)(3-fluoro-4-methoxyphenyl)methanone
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide