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

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

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