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50-66-8

50-66-8 structure
50-66-8 structure

Name 6-methylthiopurine
Synonyms 6-methylsulfanyl-7H-purine
4-(METHYLTHIO)-1H-PYRAZOLO(3,4-D)PYRIMIDINE
6-(Methylthio)purine
EINECS 200-057-3
6-Methylmercaptopurine
MFCD00005576
Density 1.47 g/cm3
Boiling Point 470.2ºC at 760 mmHg
Melting Point 219-223 °C
Molecular Formula C6H6N4S
Molecular Weight 166.20400
Exact Mass 166.03100
PSA 79.76000
LogP 1.07480
Index of Refraction 1.806
Storage condition 2-8°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO8976000
CHEMICAL NAME :
Purine, 6-(methylthio)-
CAS REGISTRY NUMBER :
50-66-8
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C6-H6-N4-S
MOLECULAR WEIGHT :
166.22
WISWESSER LINE NOTATION :
T56 BM DN FN HNJ IS1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
115 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 71,618,1982
TYPE OF TEST :
LD10 - Lethal Dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
94 mg/kg
TOXIC EFFECTS :
Gastrointestinal - other changes
REFERENCE :
PMDCAY Progress in Medical Chemistry. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1961- Volume(issue)/page/year: 7,69,1970
Hazard Codes Xi
Safety Phrases S24/25
RTECS UO8976000
HS Code 2933990090
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%