6H-Purin-6-one,8-(decylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-

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Names

[ CAS No. ]:
6466-10-0

[ Name ]:
6H-Purin-6-one,8-(decylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-

[Synonym ]:
Theophylline,8-decylthio-2-thio
8-decylsulfanyl-1,3-dimethyl-2-thioxo-1,2,3,7(9)-tetrahydro-purin-6-one
Uric acid,8-decylthio-1,3-dimethyl-2-thio
2-Thio-8-n-decylthiotheophylline

Chemical & Physical Properties

[ Density]:
1.22g/cm3

[ Boiling Point ]:
536ºC at 760mmHg

[ Molecular Formula ]:
C17H28N4OS2

[ Molecular Weight ]:
368.56000

[ Flash Point ]:
277.9ºC

[ Exact Mass ]:
368.17000

[ PSA ]:
113.00000

[ LogP ]:
4.56240

[ Index of Refraction ]:
1.609

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5093900
CHEMICAL NAME :
Theophylline, 8-decylthio-2-thio-
CAS REGISTRY NUMBER :
6466-10-0
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H28-N4-O-S2
MOLECULAR WEIGHT :
368.61
WISWESSER LINE NOTATION :
T56 BM DN FNYNVJ CS10 F1 GUS H1

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 :
100 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#04437

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

  • {3-methyl-1H-pyrrolo[2,3-b]pyridin-6-yl}methanol
  • 5-bromo-6-methyl-1H-indazole-3-carbonitrile
  • 5-bromo-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
  • Benzaldehyde, 2,6-dichloro-, O-acetyloxime, (E)-
  • Methyl 2,6-Dichloro-4-(methylthio)benzoate
  • 3-(Trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-one
  • [4-(3-Cyclopropylpropyl)-5-methylpyridin-2-yl]methanol
  • 3-(3-Hydroxyphenyl)-2,2-dimethylpropanal
  • (3-(Trifluoromethyl)quinolin-8-yl)methanol
  • 4-Hydroxypiperidin-1-yl benzoate
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