2-(Phenylthio)benzoic acid
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2-(Phenylthio)benzoic acid
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CAS No:
1527-12-4
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Formula:
C13H10O2S
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Chemical Name:
2-(Phenylthio)benzoic acid
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Synonyms:
Benzoic acid,2-(phenylthio)-;Benzoic acid,o-(phenylthio)-;2-(Phenylthio)benzoic acid;2-Carboxydiphenyl sulfide;NSC 40917;EN 300-91827;2-Phenylsulfanylbenzoic acid
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CAS No:
Characteristics
62.60000
4.33
1.3±0.1 g/cm3
167 °C @ Solvent: Ethanol
381.5±25.0 °C at 760 mmHg
184.5±23.2 °C
1.674
Computed Properties
Molecular Weight:230.28
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:230.04015073
Monoisotopic Mass:230.04015073
Topological Polar Surface Area:62.6
Heavy Atom Count:16
Complexity:236
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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