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

Suppliers

Names

[ CAS No. ]:
6493-41-0

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

[Synonym ]:
6-Thio-8-isobutylthiotheophylline
Theophylline,8-isobutylthio-6-thio
Uric acid,1,3-dimethyl-8-isobutylthio-6-thio

Chemical & Physical Properties

[ Density]:
1.39g/cm3

[ Boiling Point ]:
474.1ºC at 760mmHg

[ Molecular Formula ]:
C11H16N4OS2

[ Molecular Weight ]:
284.40100

[ Flash Point ]:
240.5ºC

[ Exact Mass ]:
284.07700

[ PSA ]:
113.00000

[ LogP ]:
2.07770

[ Index of Refraction ]:
1.671

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5913000
CHEMICAL NAME :
Theophylline, 8-isobutylthio-6-thio-
CAS REGISTRY NUMBER :
6493-41-0
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 :
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#04439

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

  • N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)-N-phenylacetamide
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • N-(2-(4-(dimethylamino)phenyl)-2-(4-phenylpiperazin-1-yl)ethyl)-3,5-dimethoxybenzamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • Ethyl 6-oxo-1-(o-tolyl)-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)-1,6-dihydropyridazine-3-carboxylate