6-[(3-fluorophenyl)methylsulfanyl]-7H-purine

Modify Date: 2025-10-01 18:08:25

6-[(3-fluorophenyl)methylsulfanyl]-7H-purine Structure
6-[(3-fluorophenyl)methylsulfanyl]-7H-purine structure
 Common Name 6-[(3-fluorophenyl)methylsulfanyl]-7H-purine
CAS Number 73972-54-0 Molecular Weight 260.29000
Density 1.47g/cm3 Boiling Point 396.9ºC at 760 mmHg
Molecular Formula C12H9FN4S Melting Point N/A
MSDS N/A Flash Point 193.8ºC

 Names

Name 6-[(3-fluorophenyl)methylsulfanyl]-7H-purine

 Chemical & Physical Properties

Density 1.47g/cm3
Boiling Point 396.9ºC at 760 mmHg
Molecular Formula C12H9FN4S
Molecular Weight 260.29000
Flash Point 193.8ºC
Exact Mass 260.05300
PSA 79.76000
LogP 2.78430
Index of Refraction 1.725
InChIKey VBRFYTXQKPWMEZ-UHFFFAOYSA-N
SMILES Fc1cccc(CSc2ncnc3nc[nH]c23)c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO8540000
CHEMICAL NAME :
Purine, 6-(m-fluorobenzylthio)-
CAS REGISTRY NUMBER :
73972-54-0
BEILSTEIN REFERENCE NO. :
0088327
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H9-F-N4-S
MOLECULAR WEIGHT :
260.31
WISWESSER LINE NOTATION :
T56 BM DN FN HNJ IS1R CF

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#03048
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Chemsrc provides CAS#:73972-54-0 MSDS, density, melting point, boiling point, structure, etc. Its name is 6-[(3-fluorophenyl)methylsulfanyl]-7H-purine>> amp version: 6-[(3-fluorophenyl)methylsulfanyl]-7H-purine

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