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4989-74-6

4989-74-6 structure
4989-74-6 structure
  • Name: Uric acid, 8-8-butylthio-1,3-dimethyl-2-thio-
  • Chemical Name: Uric acid, 8-8-butylthio-1,3-dimethyl-2-thio
  • CAS Number: 4989-74-6
  • Molecular Formula: C11H16N4OS2
  • Molecular Weight: 284.40100
  • Create Date: 2016-08-16 00:56:13
  • Modify Date: 2024-02-01 10:35:42

Name Uric acid, 8-8-butylthio-1,3-dimethyl-2-thio
Synonyms 8-Butyltheophylline
Theophylline,8-butyl
8-n-butyl-1,3-dimethylxanthine
8-Butyl-1,3-dimethyl-1,2,3,6-tetrahydro-2,6-dioxopurine
Xanthine,8-butyl-1,3-dimethyl
8-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
8-butyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
8-Butyl-theophyllin
8-Butyl-1,3-dimethyl-3,7-dihydro-purin-2,6-dion
8-n-Butylthio-2-thiotheophyllin
Density 1.39g/cm3
Boiling Point 481ºC at 760 mmHg
Molecular Formula C11H16N4OS2
Molecular Weight 284.40100
Flash Point 244.7ºC
Exact Mass 284.07700
PSA 113.00000
LogP 2.22180
Index of Refraction 1.674

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5057000
CHEMICAL NAME :
Theophylline, 8-butylthio-2-thio-
CAS REGISTRY NUMBER :
4989-74-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H16-N4-O-S2
MOLECULAR WEIGHT :
284.43
WISWESSER LINE NOTATION :
T56 BM DN FNYNVJ CS4 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 :
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#04428