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1-sulfanylidene-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

1-sulfanylidene-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-one structure

CAS No:
540760-27-8
Formula:
C9H6N4OS
Chemical Name:
1-sulfanylidene-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
Synonyms:
540760-27-8;1-mercapto[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one;1-Sulfanyl[1,2,4]triazolo[4,3-A]quinoxalin-4(5h)-One;1-SULFANYL-4H,5H-[1,2,4]TRIAZOLO[4,3-A]QUINOXALIN-4-ONE;1-sulfanylidene-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-one;1-Mercapto-[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one;Oprea1_612917;MLS000759980;CHEMBL1541468;DTXSID50368804;HMS1752O04;HMS2767O14;AKOS000116975;ZINC100434814;MCULE-6707253359;SMR000370047;EN300-07040;Q27461945;Z56940996;KFQ

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1-sulfanylidene-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-one Basic Attributes

Molecular Weight：

218.24 g/mol

Exact Mass：

218.02623200 g/mol

DSSTox ID：

DTXSID50368804

Characteristics

PSA：

88.8 Å²

Water Solubility：

>32.7 [ug/mL]

Computed Properties

Molecular Weight:218.24
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:218.02623200
Monoisotopic Mass:218.02623200
Topological Polar Surface Area:88.8
Heavy Atom Count:15
Complexity:367
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-sulfanylidene-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

Basic Attributes
Characteristics
Computed Properties

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