1,2,3,7-Tetrahydro-2-thioxo-6H-purin-6-one

Catalog Number

ACM2487403

Product Name

1,2,3,7-Tetrahydro-2-thioxo-6H-purin-6-one

Structure

CAS

2487-40-3

Category

Heterocyclic Organic Compound

Synonyms

2-Thioxanthine, 2-Thioxanthene, Purine analog, 2-Thiohypoxanthine, Xanthine, 2-thio-, 6-Hydroxy-2-mercaptopurine, 2-Thio-6-oxypurine, 6-Hydroxypurine-2-thiol, 2-Mercapto-6-hydroxypurine, Ambap591, 2-THIOXANTHANE, Xanthine, 2-thio- (VAN), Xanthine, 2-thio- (8CI), EINECS 219-636-7, NSC 36822, NSC680828, AIDS023031, AIDS045526, NSC 680828, AIDS-023031

IUPAC Name

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

Molecular Weight

168.18

Molecular Formula

C₅H₄N₄OS

Canonical SMILES

C1=NC2=C(N1)C(=O)NC(=S)N2

InChI Key

XNHFAGRBSMMFKL-UHFFFAOYSA-N

Melting Point

>300ºC

Density

1.78g/cm³

EC Number

219-636-7

Exact Mass

168.01100

H-Bond Acceptor

3

H-Bond Donor

3

Safety Description

26-37

MSDS

COA

Spec Sheet