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Home > Encyclopedia > 4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzoic acid

4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzoic acid

4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzoic acid structure

4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzoic acid 

structure
  • CAS No:

    23249-95-8

  • Formula:

    C8H6N4O2S

  • Chemical Name:

    4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzoic acid

  • Synonyms:

    Benzoic acid,4-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-;Benzoic acid,p-(5-mercapto-1H-tetrazol-1-yl)-;4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzoic acid;1-(4-Carboxyphenyl)-5-mercaptotetrazole;1-(4-Carboxyphenyl)-5-mercapto-1H-tetrazole;4-(5-Sulfanyl-1H-tetrazol-1-yl)benzoic acid;41018-10-4;1199749-47-7

4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzoic acid Basic Attributes

222.22

222.22

680-188-4

DTXSID80545863

2933990090

Characteristics

119.70000

0.64920

1.67±0.1 g/cm3

1000ºC

385.2±44.0 °C(Predicted)

235.811ºC

1.796

0mmHg at 25°C

4.02±0.10

Safety Information

II

4.1

1325

3

S24/25

|Warning|H228 (100%): Flammable solid [Danger Flammable solids]|P210, P240, P241, P280, and P370+P378|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:222.23
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:222.02114662
Monoisotopic Mass:222.02114662
Topological Polar Surface Area:109
Heavy Atom Count:15
Complexity:312
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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