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Structure

6-[(2-Fluorophenyl)methylsulfanyl]-7H-purine

CAS
3798-86-5
Catalog Number
ACM3798865
Category
Other Products
Molecular Weight
260.29 g/mol
Molecular Formula
C12H9FN4S

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Specification

Synonyms
6-((o-Fluorobenzyl)thio)purine, NSC 18401, Purine, 6-((o-fluorobenzyl)thio)-, BRN 0026523, AI3-50237, 1H-Purine, 6-(((2-fluorophenyl)methyl)thio)-, 3798-86-5, Purine, 6-[(o-fluorobenzyl)thio]-, AC1L3TLI, CTK1C4213, MolPort-019-148-418, Purine, 6-(o-fluorobenzylthio)-, NSC18401, NSC-18401, ZINC08581236, AKOS003931253, MCULE-3263882110, LS-127091, 6-[(2-fluorophenyl)methylsulfanyl]-7H-purine
IUPAC Name
6-[(2-fluorophenyl)methylsulfanyl]-7H-purine
Canonical SMILES
C1=CC=C(C(=C1)CSC2=NC=NC3=C2NC=N3)F
InChI Key
ZTWLCYDGHGMYOS-UHFFFAOYSA-N
Boiling Point
399.6ºC at 760 mmHg
Flash Point
195.5ºC
Density
1.47g/cm³
Exact Mass
260.05300
H-Bond Acceptor
5
H-Bond Donor
1
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