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

Modify Date: 2024-03-04 03:07:01

2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[(3-pyridinylmethyl)thio]-6-thioxo- Structure
2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[(3-pyridinylmethyl)thio]-6-thioxo- structure
Common Name 2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[(3-pyridinylmethyl)thio]-6-thioxo-
CAS Number 6493-44-3 Molecular Weight 319.40500
Density 1.54g/cm3 Boiling Point 581.9ºC at 760mmHg
Molecular Formula C13H13N5OS2 Melting Point N/A
MSDS N/A Flash Point 305.7ºC

 Names

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

 Chemical & Physical Properties

Density 1.54g/cm3
Boiling Point 581.9ºC at 760mmHg
Molecular Formula C13H13N5OS2
Molecular Weight 319.40500
Flash Point 305.7ºC
Exact Mass 319.05600
PSA 125.89000
LogP 2.01690
Index of Refraction 1.758

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH6497500
CHEMICAL NAME :
Theophylline, 8-(3-pyridylmethyl)thio-6-thio-
CAS REGISTRY NUMBER :
6493-44-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H13-N5-O-S2
MOLECULAR WEIGHT :
319.43
WISWESSER LINE NOTATION :
T56 BM DN FNVNYJ F1 H1 IUS CS1- CT6NJ

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 :
180 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#04455

 Synonyms

Uric acid,1,3-dimethyl-8-(3-pyridylmethyl)thio-6-thio
6-Thio-8-(3'-pyridylmethyl)thiotheophylline
Theophylline,8-(3-pyridylmethyl)thio-6-thio