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2-chloro-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid

2-chloro-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid structure

CAS No:
838880-91-4
Formula:
C13H8ClN5O2S
Chemical Name:
2-chloro-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid
Synonyms:
C13H8ClN5O2S;HMS1601J05;ZINC5804403;STK335809;STK598370;AKOS005441246;AKOS005519737;MCULE-3419515127;2-chloro-5-[3-(pyrazin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid;2-chloro-5-[3-(pyrazin-2-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid;838880-91-4

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2-chloro-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Basic Attributes

Molecular Weight：

333.75 g/mol

Exact Mass：

333.0087234 g/mol

Characteristics

PSA：

123 Å²

Computed Properties

Molecular Weight:333.75
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:333.0087234
Monoisotopic Mass:333.0087234
Topological Polar Surface Area:123
Heavy Atom Count:22
Complexity:503
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-chloro-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid

Basic Attributes
Characteristics
Computed Properties
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