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

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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)
  • 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-7-nitro-3-quinolinecarbonitrile
  • Prednisone 17-acetate
  • Pregn-4-ene-3,11,20-trione, 17-(acetyloxy)-21-HY
  • 1-(2-Methylphenyl)sulfonyl-5,5-diphenylimidazolidine-2,4-dione
  • 1-(4-Aminophenyl)sulfonyl-5,5-diphenylimidazolidine-2,4-dione
  • L-Aspartic acid, N-[1-oxo-5-(7H-purin-6-ylthio)P
  • 4-(Pyridin-2-YL)thiophene-2-carbaldehyde
  • [4-[(4-Chlorophenyl)methylene]-1-piperidinyl]-1H-indol-5-ylmethanone
  • 3-[4-(2-Pyrimidinyl)phenyl]-2-propyn-1-ol
  • 2-Amino-6-[3,6-bis(dimethylamino)xanthen-9-ylidene]-3-iminocyclohexa-1,4-diene-1-carboxylic acid
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