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8-(allylsulfanyl)-7-isopropyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione

8-(allylsulfanyl)-7-isopropyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione structure

CAS No:
326919-21-5
Formula:
C12H16N4O2S
Chemical Name:
8-(allylsulfanyl)-7-isopropyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Synonyms:
SMR000009147;MLS000029337;8-Allylsulfanyl-7-isopropyl-3-methyl-3,7-dihydro-purine-2,6-dione;8-(allylsulfanyl)-7-isopropyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione;3-methyl-7-(propan-2-yl)-8-(prop-2-en-1-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione;3-methyl-7-propan-2-yl-8-prop-2-enylsulfanylpurine-2,6-dione;8-(allylthio)-7-isopropyl-3-methyl-xanthine;Oprea1_130388;Oprea1_409438;cid_652781

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8-(allylsulfanyl)-7-isopropyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione Basic Attributes

Molecular Weight：

280.34604

Exact Mass：

280.099

Characteristics

PSA：

92.5

XLogP3：

1.6

Computed Properties

Molecular Weight:280.35
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:280.09939694
Monoisotopic Mass:280.09939694
Topological Polar Surface Area:92.5
Heavy Atom Count:19
Complexity:401
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-(allylsulfanyl)-7-isopropyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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