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2-amino-4-(4-butoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile

2-amino-4-(4-butoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile structure

CAS No:
214046-05-6
Formula:
C17H16N4OS
Chemical Name:
2-amino-4-(4-butoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
Synonyms:
MLS001029994;CHEMBL1427870;HMS2791G13;STK537870;ZINC13686593;AKOS005468311;MCULE-1099919789;SMR000427195;6-amino-4-(4-butoxyphenyl)-3,5-dicyanopyridine-2(1h)-thione;2-Amino-4-(4-butoxy-phenyl)-6-mercapto-pyridine-3,5-dicarbonitrile;2-amino-4-(4-butoxyphenyl)-6-sulfanylpyridine-3,5-dicarbonitrile;214046-05-6

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2-amino-4-(4-butoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile Basic Attributes

Molecular Weight：

324.4 g/mol

Exact Mass：

324.10448232 g/mol

Characteristics

PSA：

127 Å²

XLogP3：

4.49686

Melting Point：

199 - 201 °C (acetic acid)

Water Solubility：

35.6 [ug/mL]

Computed Properties

Molecular Weight:324.4
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:324.10448232
Monoisotopic Mass:324.10448232
Topological Polar Surface Area:127
Heavy Atom Count:23
Complexity:638
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

214046-06-7

214046-05-6

Hot Searches: tricalcium phosphate; hcl sds; iron iii sulfide; bromhexine; 3-methyl-2-butanone; cabr2

Guide of 2-amino-4-(4-butoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile

Basic Attributes
Characteristics
Computed Properties
Synthesis Route

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