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7-BUTYL-8-MERCAPTO-1,3-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE

7-BUTYL-8-MERCAPTO-1,3-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE structure

CAS No:
436094-92-7
Formula:
C11H16N4O2S
Chemical Name:
7-BUTYL-8-MERCAPTO-1,3-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE
Synonyms:
7-Butyl-8-mercapto-1,3-dimethyl-3,7-dihydro-purine-2,6-dione;7-butyl-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione;7-Butyl-1,3-dimethyl-8-thioxo-8,9-dihydro-1H-purine-2,6(3H,7H)-dione;CTK4I7566;DTXSID80389880;ZINC2144427;3495AE;STK720229;AKOS000300669;MCULE-7745647326

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7-BUTYL-8-MERCAPTO-1,3-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE Basic Attributes

Molecular Weight：

268.34

Exact Mass：

268.09900

DSSTox ID：

DTXSID80389880

HScode：

2933990090

Characteristics

PSA：

XLogP3：

0.52250

Density：

1.39g/cm3

Boiling Point：

346.3ºC at 760mmHg

Flash Point：

163.2ºC

Refractive Index：

1.658

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:268.34
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:268.09939694
Monoisotopic Mass:268.09939694
Topological Polar Surface Area:88
Heavy Atom Count:18
Complexity:460
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-BUTYL-8-MERCAPTO-1,3-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE

Basic Attributes
Characteristics
Safety Information
Computed Properties

7-BUTYL-8-MERCAPTO-1,3-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE

SDS

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