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Structure

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

CAS
73972-54-0
Catalog Number
ACM73972540
Category
Other Products
Molecular Weight
260.29 g/mol
Molecular Formula
C12H9FN4S

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Specification

Synonyms
Purine, 6-(m-fluorobenzylthio)-, 6-(m-Fluorobenzylthio)purine, NSC 18400, BRN 0088327, 6-[(3-fluorobenzyl)sulfanyl]-9h-purine, ST50812007, 73972-54-0, 1H-Purine, 6-(((3-fluorophenyl)methyl)thio)-, 1H-Purine, 6-[[(3-fluorophenyl)methyl]thio]-, AC1L3TLF, Oprea1_856111, AC1Q4O01, IFLab1_002325, MolPort-004-663-861, HMS1418J15, NSC18400, AR-1H0566, NSC-18400, ZINC06309605, 6-[(3-fluorophenyl)methylthio]purine
IUPAC Name
6-[(3-fluorophenyl)methylsulfanyl]-7H-purine
Canonical SMILES
C1=CC(=CC(=C1)F)CSC2=NC=NC3=C2NC=N3
InChI Key
VBRFYTXQKPWMEZ-UHFFFAOYSA-N
Boiling Point
396.9ºC at 760 mmHg
Flash Point
193.8ºC
Density
1.47g/cm³
Exact Mass
260.05300
H-Bond Acceptor
5
H-Bond Donor
1
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