Uric acid, 1,3-dimethyl-8-hexylthio-6-thio-

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Names

[ CAS No. ]:
4791-38-2

[ Name ]:
Uric acid, 1,3-dimethyl-8-hexylthio-6-thio-

[Synonym ]:
8-n-Hexylthio-6-thiotheophyllin
Uric acid,1,3-dimethyl-8-hexylthio-6-thio

Chemical & Physical Properties

[ Density]:
1.32g/cm3

[ Boiling Point ]:
497.9ºC at 760 mmHg

[ Molecular Formula ]:
C13H20N4OS2

[ Molecular Weight ]:
312.45400

[ Flash Point ]:
254.9ºC

[ Exact Mass ]:
312.10800

[ PSA ]:
113.00000

[ LogP ]:
3.00200

[ Index of Refraction ]:
1.646

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5720000
CHEMICAL NAME :
Theophylline, 8-hexylthio-6-thio-
CAS REGISTRY NUMBER :
4791-38-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H20-N4-O-S2
MOLECULAR WEIGHT :
312.49
WISWESSER LINE NOTATION :
T56 BM DN FNVNYJ CS6 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 :
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#04426

Related Compounds

  • Uric acid, 1, 3-dimethyl-(8-dodecylthio)-6-thio-
  • Uric acid, 1,3-dimethyl-8-decylthio-6-thio-
  • Uric acid, 1, 3-dimethyl-(8-pentylthio)-6-thio-
  • 2-Thio-8-(N-hexylthio)theophylline
  • 8-O-Acetylharpagide
  • Theophylline, 8-nonylthio-6-thio-
  • 1-(1,4,5,6-Tetrahydropyrimidin-2-yl)cyclobutan-1-amine
  • [(2,4-Dichloro-5-fluorophenyl)methyl](methyl)amine hydrochloride
  • 2-(4-Aminobut-1-en-2-yl)-6-fluorophenol
  • (2R)-1-amino-3-propylhexan-2-ol
  • (7-Cyano-6-fluoro-1H-benzo[d]imidazol-2-yl)difluoromethanesulfonyl fluoride
  • 5-Amino-1,1,1,2-tetrafluoropentan-3-ol
  • (2R)-1-(5-methoxypyridin-3-yl)propan-2-ol
  • 5-Fluoroquinoline-8-sulfonamide
  • 5-(2-methoxyethyl)-1-(2-methylpropyl)-1H-1,2,3-triazole-4-carbaldehyde
  • 3-(1H-imidazol-2-yl)azetidin-3-ol
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