1,3-dihydro-2H-purine-2-thione
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Product Description
Product
1,3-dihydro-2H-purine-2-thione
CAS
28128-19-0
Formula
C5H4N4S
Synonym
1,3-dihydro-2H-purine-2-thione; 1H-Purine-2-thiol; 2H-Purine-2-thione, 1,3-dihydro- (9CI); 2-Mercapto-9H-purine; 2-MERCAPTOPURINE; 2-purinethiol; 2-Purinethiol, 2-Thiopurine; 2-THIOPURINE; 2-THIOPURINE 95%; 5-Mercaptopurine; EINECS 248-855-0; NSC 23720; Purine-2-thiol; UNII-81XK02929C
Typical Product Specifications
Molecular weight
152.18
EINECS
248-855-0
SMILES
c12[nH]c(=S)ncc1nc[nH]2
InChI
HDBQZGJWHMCXIL-UHFFFAOYSA-N
InChIKey
1S/C5H4N4S/c10-5-6-1-3-4(9-5)8-2-7-3/h1-2H,(H2,6,7,8,9,10)
log P (octanol-water)
0.790
Atmospheric OH Rate Constant
7.29E-11 cm3/molecule-sec
Water solubility
400 mg/L
Class
1,3-dihydro-2H-purine-2-thione
Product Description
Product
1,3-dihydro-2H-purine-2-thione
CAS
28128-19-0
Formula
C5H4N4S
Synonym
1,3-dihydro-2H-purine-2-thione; 1H-Purine-2-thiol; 2H-Purine-2-thione, 1,3-dihydro- (9CI); 2-Mercapto-9H-purine; 2-MERCAPTOPURINE; 2-purinethiol; 2-Purinethiol, 2-Thiopurine; 2-THIOPURINE; 2-THIOPURINE 95%; 5-Mercaptopurine; EINECS 248-855-0; NSC 23720; Purine-2-thiol; UNII-81XK02929C
Typical Product Specifications
Molecular weight
152.18
EINECS
248-855-0
SMILES
c12[nH]c(=S)ncc1nc[nH]2
InChI
HDBQZGJWHMCXIL-UHFFFAOYSA-N
InChIKey
1S/C5H4N4S/c10-5-6-1-3-4(9-5)8-2-7-3/h1-2H,(H2,6,7,8,9,10)
log P (octanol-water)
0.790
Atmospheric OH Rate Constant
7.29E-11 cm3/molecule-sec
Water solubility
400 mg/L
Class
