5-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)-1,3-benzenedicarboxylic acid
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5-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)-1,3-benzenedicarboxylic acid
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CAS No:
15909-94-1
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Formula:
C9H6N4O4S
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Chemical Name:
5-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)-1,3-benzenedicarboxylic acid
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Synonyms:
1,3-Benzenedicarboxylic acid,5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-;Isophthalic acid,5-(5-mercapto-1H-tetrazol-1-yl)-;5-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)-1,3-benzenedicarboxylic acid;1-(3,5-Dicarboxy)phenyl-5-mercaptotetrazole;1-(3,5-Dicarboxyphenyl)-2-tetrazoline-5-thione
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CAS No:
5-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)-1,3-benzenedicarboxylic acid Basic Attributes
266.23300
266.23
240-052-3
DTXSID6065971
Characteristics
157.00000
0.34740
1.85g/cm3
218 °C (decomp) @ Solvent: Methanol, Water
539.4ºC
280ºC
1.827
1.81E-12mmHg at 25°C
5-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)-1,3-benzenedicarboxylic acid Use and Manufacturing
1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-: INACTIVE
Computed Properties
Molecular Weight:266.24
XLogP3:1.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:266.01097586
Monoisotopic Mass:266.01097586
Topological Polar Surface Area:147
Heavy Atom Count:18
Complexity:405
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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