6-(Methylthio)purine

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Names

[ CAS No. ]:
50-66-8

[ Name ]:
6-(Methylthio)purine

[Synonym ]:
6-methylsulfanyl-7H-purine
4-(METHYLTHIO)-1H-PYRAZOLO(3,4-D)PYRIMIDINE
6-(Methylthio)purine
EINECS 200-057-3
6-Methylmercaptopurine
MFCD00005576

Chemical & Physical Properties

[ 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

MSDS

Click to get detail MSDS

Toxicological Information

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

Safety Information

[ Hazard Codes ]:
Xi

[ Safety Phrases ]:
S24/25

[ RTECS ]:
UO8976000

[ HS Code ]:
2933990090

Precursor & DownStream

Precursor

  • 6-chloropurine
  • Sodium thiomethoxide
  • 6-Mercaptopurine
  • Inosine,6-S-methyl-6-thio-

DownStream

  • N-(2-Furanylmethyl)-9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-amine
  • Inosine,6-S-methyl-6-thio-
  • N-pentyl-7H-purin-6-amine
  • 9H-Purine,6-(1-pyrrolidinyl)-
  • 6-methylsulfonyl-5H-purine
  • 1-diethylamino-3-(6-methylsulfanylpurin-9-yl)propan-2-ol
  • 6-methylsulfinyl-7H-purine
  • 9H-Purine,6-(4-morpholinyl)-
  • Inosine,2'-deoxy-6-S-methyl-6-thio- (9CI)
  • 9H-Purine,9-(2-chloroethyl)-6-(methylthio)-

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

  • 2-bromo-6-(methylthio)purine
  • 2-(p-n-butylanilino)-6-(methylthio)purine
  • 2-amino-9-(2-deoxy-3,5-di-O-p-toluoyl-β-D-erythro-pentofuranosyl)-6-(methylthio)purine
  • 9-(2',3',5'-tri-O-benzoyl-2'-C-methyl-β-D-ribofuranosyl)-6-methylthio-purine
  • 6-Methylthio-9-trimethylsilyl-9H-purine
  • 6-(methylthio)-9-(2-deoxy-3,5-di-O-acetyl-β-D-erythro-pentofuranosyl)purine
  • (3R)-3-hydroxy-3-(1H-indol-3-yl)propanoic acid
  • (3S)-3-hydroxy-3-(1H-indol-3-yl)propanoic acid
  • [1-(6-Methylpyridin-2-yl)cyclohexyl]methanamine
  • 2-(4-Chlorophenyl)-5-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazole
  • (1S)-3-amino-1-(1-methyl-1H-indol-2-yl)propan-1-ol
  • 3-((1-Methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)amino)benzoic acid
  • 4-[5-(Methylsulfonyl)-2-pyridinyl]benzoic acid
  • 4-[(4-Nitrophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide
  • 4,5-Dichloro-6-methoxybenzene-1,3-disulfonamide
  • Ethyl 3-bromo-1-ethyl-1H-indazole-6-carboxylate