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1,3-dimethyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione

1,3-dimethyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione structure

CAS No:
1784-70-9
Formula:
C7H8N4O2S
Chemical Name:
1,3-dimethyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione
Synonyms:
1,3-dimethyl-8-pyridin-3-yl-3,7(9)-dihydro-purine-2,6-dione; 1,3-dimethyl-8-mercaptoxanthine; Theophylline,8-(3-pyridyl); 8-mercapto-theophylline; 8-<3-Pyridyl>-theophyllin; 8--theophyllin; 8-thiotheophylline; 1,3-dimethyl-8-thioxanthine; 8-(3-Pyridyl)theophylline; 1,3-dimethyl-8-thioxo-3,7,8,9-tetrahydro-purine-2,6-dione; 8-(pyridin-3-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione;Expand
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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1,3-dimethyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione Basic Attributes

Molecular Weight：

212.22900

Exact Mass：

212.03679668 g/mol

NSC Number：

73501|14355

DSSTox ID：

DTXSID90353012

HScode：

2933990090

Characteristics

PSA：

111.48000

XLogP3：

-0.75100

Density：

1.65g/cm3

Boiling Point：

298.1ºC

Flash Point：

134.1ºC

Refractive Index：

1.748

Vapor Pressure：

0.0013mmHg at 25°C

Computed Properties

Molecular Weight:212.23
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:212.03679668
Monoisotopic Mass:212.03679668
Topological Polar Surface Area:96.8
Heavy Atom Count:14
Complexity:389
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1784-70-9

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