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4791-38-2

4791-38-2 structure
4791-38-2 structure
  • Name: Uric acid, 1,3-dimethyl-8-hexylthio-6-thio-
  • Chemical Name: 8-hexylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
  • CAS Number: 4791-38-2
  • Molecular Formula: C13H20N4OS2
  • Molecular Weight: 312.45400
  • Create Date: 2017-10-10 20:10:08
  • Modify Date: 2024-08-13 11:21:17

Name 8-hexylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Synonyms 8-n-Hexylthio-6-thiotheophyllin
Uric acid,1,3-dimethyl-8-hexylthio-6-thio
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

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