4791-37-1

4791-37-1 structure
4791-37-1 structure
  • Name: Uric acid, 1, 3-dimethyl-(8-pentylthio)-6-thio-
  • Chemical Name: 1,3-dimethyl-8-pentylsulfanyl-6-sulfanylidene-7H-purin-2-one
  • CAS Number: 4791-37-1
  • Molecular Formula: C12H18N4OS2
  • Molecular Weight: 298.42800
  • Create Date: 2016-12-21 01:10:08
  • Modify Date: 2024-09-14 16:14:27

Name 1,3-dimethyl-8-pentylsulfanyl-6-sulfanylidene-7H-purin-2-one
Synonyms Uric acid,1,3-dimethyl-8-pentylthio-6-thio
8-n-Pentylthio-6-thiotheophyllin
Density 1.35g/cm3
Boiling Point 489.1ºC at 760 mmHg
Molecular Formula C12H18N4OS2
Molecular Weight 298.42800
Flash Point 249.6ºC
Exact Mass 298.09200
PSA 113.00000
LogP 2.61190
Index of Refraction 1.659

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH6487000
CHEMICAL NAME :
Theophylline, 8-pentylthio-6-thio-
CAS REGISTRY NUMBER :
4791-37-1
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H18-N4-O-S2
MOLECULAR WEIGHT :
298.46
WISWESSER LINE NOTATION :
T56 BM DN FNVNYJ CS5 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#04425