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

Names

[ 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%