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1,3,7-trimethyl-8-sulfanylidene-9H-purine-2,6-dione

1,3,7-trimethyl-8-sulfanylidene-9H-purine-2,6-dione structure

CAS No:
1790-74-5
Formula:
C8H10N4O2S
Chemical Name:
1,3,7-trimethyl-8-sulfanylidene-9H-purine-2,6-dione
Synonyms:
1,3,7-trimethyl-8-thio-uric acid; 1,3,7-Trimethyl-8-thio-harnsaeure; 1,3,7-Trimethyl-8-pyrrolidino-3,7-dihydro-purin-2,6-dion; 1,3,7-trimethyl-8-pyrrolidino-3,7-dihydro-purine-2,6-dione; 1,3,7-Trimethyl-8-pyrrolidin-1-yl-3,7-dihydro-purine-2,6-dione;

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1,3,7-trimethyl-8-sulfanylidene-9H-purine-2,6-dione Basic Attributes

Molecular Weight：

226.25600

Exact Mass：

226.05244675 g/mol

NSC Number：

11258

DSSTox ID：

DTXSID90170761

Characteristics

PSA：

96.81000

XLogP3：

-0.36670

Density：

1.57g/cm3

Boiling Point：

300.6ºC at 760 mmHg

Flash Point：

135.6ºC

Refractive Index：

1.726

Vapor Pressure：

0.00111mmHg at 25°C

Computed Properties

Molecular Weight:226.26
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:226.05244675
Monoisotopic Mass:226.05244675
Topological Polar Surface Area:88
Heavy Atom Count:15
Complexity:417
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3,7-trimethyl-8-sulfanylidene-9H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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