Theophylline, 8-(acetonylthio)-6-thio-

Suppliers

Names

[ CAS No. ]:
6466-01-9

[ Name ]:
Theophylline, 8-(acetonylthio)-6-thio-

[Synonym ]:
Theophylline,8-(acetonylthio)-6-thio
8-(Acetonylthio)-6-thiotheophylline

Chemical & Physical Properties

[ Density]:
1.54g/cm3

[ Boiling Point ]:
504.2ºC at 760 mmHg

[ Molecular Formula ]:
C₁₀H₁₂N₄O₂S₂

[ Molecular Weight ]:
284.35800

[ Flash Point ]:
258.7ºC

[ Exact Mass ]:
284.04000

[ PSA ]:
130.07000

[ LogP ]:
1.01070

[ Index of Refraction ]:
1.709

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH3854500

CHEMICAL NAME :: Theophylline, 8-(acetonylthio)-6-thio-

CAS REGISTRY NUMBER :: 6466-01-9

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H12-N4-O2-S2

MOLECULAR WEIGHT :: 284.38

WISWESSER LINE NOTATION :: T56 BN DN FNVNYJ B1Y1&US 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 :: 100 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#06856

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

Theophylline, 8-nonylthio-6-thio-
Theophylline,8,8'-ethylenebis[6-thio- (7CI,8CI)
Theophylline, 8-(2-aminoethyl)thio-6-thio-
8-heptylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
6-Thio-8-(N-octylthio)theophylline
JA2-4 (NSC99657)