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8-[2-(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)ethyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one

8-[2-(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)ethyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one structure

CAS No:
1784-50-5
Formula:
C16H18N8O2S2
Chemical Name:
8-[2-(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)ethyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
Synonyms:
8,8'-Ethylenebis(2-thiotheophylline);1784-50-5;Theophylline, 8,8'-ethylenebis(2-thio-;JG6UZV5MTD;UNII-JG6UZV5MTD;NSC 95918;BRN 1192853;8,8'-Dimethylene-bis-(2-thiotheophylline);NSC95918;DTXSID90170468;NSC-95918;Theophylline,8'-ethylenebis[2-thio-;ZINC13284957;8,8'-Ethylenebis(2-thio-theophylline);8,8'-Dimethylenebis(2-thiotheophylline);8-[2-(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)ethyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one

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8-[2-(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)ethyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one Basic Attributes

Molecular Weight：

418.5 g/mol

Exact Mass：

418.09941419 g/mol

UNII：

JG6UZV5MTD

NSC Number：

95918

DSSTox ID：

DTXSID90170468

Characteristics

PSA：

169 Å²

Computed Properties

Molecular Weight:418.5
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:418.09941419
Monoisotopic Mass:418.09941419
Topological Polar Surface Area:169
Heavy Atom Count:28
Complexity:675
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: acetic acid mw; ammonium thioglycolate; 2-butanol; molecular formula for nitrate; magnesium acetate; dystrophic nails

Guide of 8-[2-(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)ethyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one

Basic Attributes
Characteristics
Computed Properties

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