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1,3-dimethyl-8-(phenylsulfanylmethyl)-7H-purine-2,6-dione

1,3-dimethyl-8-(phenylsulfanylmethyl)-7H-purine-2,6-dione structure

CAS No:
6466-44-0
Formula:
C14H14N4O2S
Chemical Name:
1,3-dimethyl-8-(phenylsulfanylmethyl)-7H-purine-2,6-dione
Synonyms:
6466-44-0;NSC99686;DTXSID70983275;NSC-99686;ZINC17379749;1,3-Dimethyl-8-[(phenylsulfanyl)methyl]-3,9-dihydro-1H-purine-2,6-dione

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1,3-dimethyl-8-(phenylsulfanylmethyl)-7H-purine-2,6-dione Basic Attributes

Molecular Weight：

302.35 g/mol

Exact Mass：

302.08374688 g/mol

NSC Number：

99686

Characteristics

PSA：

94.6 Å²

Computed Properties

Molecular Weight:302.35
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:302.08374688
Monoisotopic Mass:302.08374688
Topological Polar Surface Area:94.6
Heavy Atom Count:21
Complexity:427
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-dimethyl-8-(phenylsulfanylmethyl)-7H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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