6H-Purin-6-one,1,2,3,9-tetrahydro-1,3-dimethyl-8-[(2-pyridinylmethyl)thio]-2-thioxo-

Modify Date: 2024-01-10 15:26:26

6H-Purin-6-one,1,2,3,9-tetrahydro-1,3-dimethyl-8-[(2-pyridinylmethyl)thio]-2-thioxo- Structure
6H-Purin-6-one,1,2,3,9-tetrahydro-1,3-dimethyl-8-[(2-pyridinylmethyl)thio]-2-thioxo- structure
Common Name 6H-Purin-6-one,1,2,3,9-tetrahydro-1,3-dimethyl-8-[(2-pyridinylmethyl)thio]-2-thioxo-
CAS Number 6466-14-4 Molecular Weight 319.40500
Density 1.54g/cm3 Boiling Point 563.7ºC at 760mmHg
Molecular Formula C13H13N5OS2 Melting Point N/A
MSDS N/A Flash Point 294.7ºC

 Names

Name 1,3-dimethyl-8-(pyridin-2-ylmethylsulfanyl)-2-sulfanylidene-7H-purin-6-one

 Chemical & Physical Properties

Density 1.54g/cm3
Boiling Point 563.7ºC at 760mmHg
Molecular Formula C13H13N5OS2
Molecular Weight 319.40500
Flash Point 294.7ºC
Exact Mass 319.05600
PSA 125.89000
LogP 2.01690
Index of Refraction 1.758

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH6496000
CHEMICAL NAME :
Theophylline, 8-((2-pyridylmethyl)thio)-2-thio-
CAS REGISTRY NUMBER :
6466-14-4
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H13-N5-O-S2
MOLECULAR WEIGHT :
319.43
WISWESSER LINE NOTATION :
T56 BM DN FNYNVJ F1 GUS H1 CS1- BT6NJ

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#06844
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