2-Hydroxy-4-[[(phenylamino)thioxomethyl]amino]benzoic acid
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![2-Hydroxy-4-[[(phenylamino)thioxomethyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8f0c1bd3e08f4185a0f06e81398fa3f5.png "2-Hydroxy-4-[[(phenylamino)thioxomethyl]amino]benzoic acid")
2-Hydroxy-4-[[(phenylamino)thioxomethyl]amino]benzoic acid
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CAS No:
20679-94-1
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Formula:
C14H12N2O3S
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Chemical Name:
2-Hydroxy-4-[[(phenylamino)thioxomethyl]amino]benzoic acid
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Synonyms:
Benzoic acid,2-hydroxy-4-[[(phenylamino)thioxomethyl]amino]-;Salicylic acid,4-(3-phenyl-2-thioureido)-;2-Hydroxy-4-[[(phenylamino)thioxomethyl]amino]benzoic acid;U 1238;N-Phenyl-N′-4-carboxy-3-hydroxyphenylthiourea;N-Phenyl-N′-(4-carboxy-5-hydroxyphenyl)thiourea;4-(3-Phenyl-2-thioureido)salicylic acid;p-Phenylthioureidosalicylic acid;PTU 20;4-Phenylthioureidosalicylic acid;2-Hydroxy-4-[(phenylcarbamothioyl)amino]benzoic acid;2-Hydroxy-4-(3-phenylthioureido)benzoic acid;2-Hydroxy-4-(3-phenyl-thioureido)-benzoic acid
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CAS No:
2-Hydroxy-4-[[(phenylamino)thioxomethyl]amino]benzoic acid Basic Attributes
288.32200
288.32
2930909090
Characteristics
120.72000
3.19280
1.528g/cm3
170-172 °C (decomp)
475.4ºC at 760 mmHg
241.3ºC
1.806
7.59E-10mmHg at 25°C
Computed Properties
Molecular Weight:288.32
XLogP3:3.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:288.05686342
Monoisotopic Mass:288.05686342
Topological Polar Surface Area:114
Heavy Atom Count:20
Complexity:358
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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