Theophylline, 8,8-ethylenebis[2-thio-

Names

[ Name ]:
Theophylline, 8,8-ethylenebis[2-thio-

[Synonym ]:
8,8'-ethane-1,2-diylbis(1,3-dimethyl-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one)
8,8'-Dimethylene-bis-(2-thiotheophylline)
1,3,1',3'-tetramethyl-2,2'-dithioxo-1,2,3,7(9),1',2',3',7'(9')-octahydro-8,8'-ethane-1,2-diyl-bis-purin-6-one
Theophylline,8,8'-ethylenebis(2-thio
8,8'-Ethylenebis(2-thiotheophylline)

Chemical & Physical Properties

[ Density]:
1.68g/cm3

[ Boiling Point ]:
787.9ºC at 760 mmHg

[ Molecular Formula ]:
C₁₆H₁₈N₈O₂S₂

[ Molecular Weight ]:
418.49700

[ Flash Point ]:
430.3ºC

[ Exact Mass ]:
418.09900

[ PSA ]:
175.40000

[ LogP ]:
0.75780

[ Vapour Pressure ]:
8.51E-25mmHg at 25°C

[ Index of Refraction ]:
1.806

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5220000

CHEMICAL NAME :: Theophylline, 8,8'-ethylenebis(2-thio-

CAS REGISTRY NUMBER :: 1784-50-5

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C16-H18-N8-O2-S2

MOLECULAR WEIGHT :: 418.54

WISWESSER LINE NOTATION :: T56 BM DN FNYNVJ F1 GUS H1 C2- CT56 BM DN FNYNVJ 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 :: 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#04410

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%