6-(Phenylmethylsulfanyl)-3,7-dihydropurin-2-one

Catalog Number

ACM5446424

Product Name

6-(Phenylmethylsulfanyl)-3,7-dihydropurin-2-one

Structure

CAS

5446-42-4

Category

Heterocyclic Organic Compound

Synonyms

6-(Benzylthio)purin-2-ol, Purin-2-ol, 6-(benzylthio)-, NSC 17268, 6-(benzylsulfanyl)-7h-purin-2-ol, 5446-42-4, 6-benzylsulfanyl-3,7-dihydropurin-2-one, AC1L3TK9, AC1Q6N1J, CHEMBL359648, CTK8J1654, NSC17268, Purine, 6-Benzylmercapto-2-hydroxy, AR-1G9913, NSC-17268, KB-247639, LS-127195, 6-(benzylsulfanyl)-3,7-dihydro-2H-purin-2-one, 3H-Purin-3-one,7-dihydro-6-[(phenylmethyl)thio]-, 3H-Purin-3-one, 1,7-dihydro-6-((phenylmethyl)thio)-, 3H-Purin-3-one, 1,7-dihydro-6-((phenylmethyl)thio)- (9CI)

IUPAC Name

6-benzylsulfanyl-3,7-dihydropurin-2-one

Molecular Weight

258.299 g/mol

Molecular Formula

C₁₂H₁₀N₄OS

Canonical SMILES

C1=CC=C(C=C1)CSC2=NC(=O)NC3=C2NC=N3

InChI Key

XKLXGBRBFJZZOP-UHFFFAOYSA-N

Boiling Point

662ºC at 760mmHg

Flash Point

354.2ºC

Density

1.51g/cm³

Exact Mass

258.05800

H-Bond Acceptor

3

H-Bond Donor

2

MSDS

COA

Spec Sheet