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

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Names

[ CAS No. ]:
6466-13-3

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

[Synonym ]:
Uric acid,8-cyclohexylthio-1,3-dimethyl-2-thio
2-Thio-8-cyclohexylthiotheophylline
Theophylline,8-cyclohexylthio-2-thio

Chemical & Physical Properties

[ Density]:
1.42g/cm3

[ Boiling Point ]:
528.9ºC at 760mmHg

[ Molecular Formula ]:
C13H18N4OS2

[ Molecular Weight ]:
310.43800

[ Flash Point ]:
273.6ºC

[ Exact Mass ]:
310.09200

[ PSA ]:
113.00000

[ LogP ]:
2.75440

[ Index of Refraction ]:
1.693

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5093500
CHEMICAL NAME :
Theophylline, 8-cyclohexylthio-2-thio-
CAS REGISTRY NUMBER :
6466-13-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H18-N4-O-S2
MOLECULAR WEIGHT :
310.47
WISWESSER LINE NOTATION :
T56 BM DN FNYNVJ CS- AL6TJ& 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 :
180 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#04445

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

  • tert-Butyl 4-(2-((1H-benzo[d]imidazol-2-yl)oxy)ethyl)piperidine-1-carboxylate
  • tert-Butyl 4-(2-(benzo[d]oxazol-2-yloxy)ethyl)piperidine-1-carboxylate
  • tert-Butyl 4-(2-(benzo[d]thiazol-2-yloxy)ethyl)piperidine-1-carboxylate
  • 2-(Cyclopentylthio)-1-(4-((6-methylpyridazin-3-yl)oxy)piperidin-1-yl)ethanone
  • 3-(4-((6-methylpyridazin-3-yl)oxy)piperidine-1-carbonyl)pyridin-2(1H)-one
  • 2-(Benzo[d]oxazol-2-ylthio)-1-(4-((6-methylpyridazin-3-yl)oxy)piperidin-1-yl)ethanone
  • (S)-2-Pyrrolidin-2-YL-6-trifluoromethyl-1H-benzoimidazole
  • 2-methyl-6-(4-((6-methylpyridazin-3-yl)oxy)piperidine-1-carbonyl)pyridazin-3(2H)-one
  • 2-(1-methyl-1H-indol-3-yl)-1-(4-((6-methylpyridazin-3-yl)oxy)piperidin-1-yl)ethanone
  • (E)-1-(4-((6-methylpyridazin-3-yl)oxy)piperidin-1-yl)-3-(thiophen-2-yl)prop-2-en-1-one
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