4791-42-8

4791-42-8 structure
4791-42-8 structure
  • Name: Uric acid, 1,3-dimethyl-8-decylthio-6-thio-
  • Chemical Name: 8-decylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
  • CAS Number: 4791-42-8
  • Molecular Formula: C17H28N4OS2
  • Molecular Weight: 368.56000
  • Create Date: 2016-03-24 05:37:39
  • Modify Date: 2024-04-05 10:29:31

Name 8-decylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Synonyms Theophylline,8-decylthio-6-thio
6-Thio-8-N-(decylthio)theophylline
Uric acid,1,3-dimethyl-8-decylthio-6-thio
8-decylsulfanyl-1,3-dimethyl-6-thioxo-1,3,6,7(9)-tetrahydro-purin-2-one
Density 1.22g/cm3
Boiling Point 536ºC at 760 mmHg
Molecular Formula C17H28N4OS2
Molecular Weight 368.56000
Flash Point 277.9ºC
Exact Mass 368.17000
PSA 113.00000
LogP 4.56240
Index of Refraction 1.609

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5093920
CHEMICAL NAME :
Theophylline, 8-decylthio-6-thio-
CAS REGISTRY NUMBER :
4791-42-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H28-N4-O-S2
MOLECULAR WEIGHT :
368.61
WISWESSER LINE NOTATION :
T56 BM DN FNVNYJ CS10 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#04431