2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[(1-methylpropyl)thio]-6-thioxo-

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Names

[ CAS No. ]:
6493-40-9

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

Chemical & Physical Properties

[ Density]:
1.39g/cm3

[ Boiling Point ]:
467.9ºC at 760mmHg

[ Molecular Formula ]:
C11H16N4OS2

[ Molecular Weight ]:
284.40100

[ Flash Point ]:
236.8ºC

[ Exact Mass ]:
284.07700

[ PSA ]:
113.00000

[ LogP ]:
2.22020

[ Index of Refraction ]:
1.671

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5059000
CHEMICAL NAME :
Theophylline, 8-(sec-butylthio)-6-thio-
CAS REGISTRY NUMBER :
6493-40-9
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H16-N4-O-S2
MOLECULAR WEIGHT :
284.43
WISWESSER LINE NOTATION :
T56 BM DN FNVNYJ CS1Y1&1 F1 H1 IUS

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 :
56 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#04440

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

  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 1H-pyrazolo[3,4-b]pyridine-4-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl [1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-butyl-1,3-thiazole-4-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-cyano-3-fluorobenzoate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 1,2-benzothiazole-4-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-(4-chloro-1H-pyrazol-1-yl)acetate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-methanesulfonyl-2-methylpropanoate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-fluoropyridine-4-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-ethyl-4-methylpentanoate
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