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8-[(2-Aminoethyl)thio]-6,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2(3H)-one

8-[(2-Aminoethyl)thio]-6,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2(3H)-one structure

CAS No:
6559-88-2
Formula:
C9H13N5OS2
Chemical Name:
8-[(2-Aminoethyl)thio]-6,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2(3H)-one
Synonyms:
6-Thio-8-(2"-aminoethyl)thiotheophylline;Theophylline, 8-(2-aminoethyl)thio-6-thio-;NSC 99658;UNII-QH2WV9AI78;BRN 1136194;QH2WV9AI78;MLS002695365;Uric acid, 8-(2-aminoethyl)thio-1,3-dimethyl-6-thio-;NSC99658;Theophylline, 8-[(2-aminoethyl)thio]-6-thio-

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8-[(2-Aminoethyl)thio]-6,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2(3H)-one Basic Attributes

Molecular Weight：

271.357

Exact Mass：

271.056

UNII：

QH2WV9AI78

NSC Number：

99658

DSSTox ID：

DTXSID40215853

Characteristics

PSA：

136

XLogP3：

0.1

Computed Properties

Molecular Weight:271.4
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:271.05615240
Monoisotopic Mass:271.05615240
Topological Polar Surface Area:136
Heavy Atom Count:17
Complexity:339
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-[(2-Aminoethyl)thio]-6,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2(3H)-one

Basic Attributes
Characteristics
Computed Properties

8-[(2-Aminoethyl)thio]-6,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2(3H)-one

SDS

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