2-Mercaptobenzoic acid
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2-Mercaptobenzoic acid
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CAS No:
147-93-3
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Formula:
C7H6O2S
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Chemical Name:
2-Mercaptobenzoic acid
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Synonyms:
Benzoic acid,2-mercapto-;Benzoic acid,o-mercapto-;2-Mercaptobenzoic acid;o-Mercaptobenzoic acid;Salicylic acid,2-thio-;o-Sulfhydrylbenzoic acid;o-Thiosalicylic acid;2-Carboxythiophenol;Thiosalicylic acid;o-Carboxythiophenol;Thiophenol-2-carboxylic acid;2-Thiosalicylic acid;2-Sulfanylbenzoic acid;NSC 2184;NSC 660640;2-Carboxybenzenethiol;860499-02-1
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CAS No:
Description
white to light yellow crystal powderChEBI: A sulfanylbenzoic acid that is the 2-sulfanyl derivative of benzoic acid.
Thiosalicylic acid is a sulfanylbenzoic acid that is the 2-sulfanyl derivative of benzoic acid. It has a role as a non-narcotic analgesic and an antipyretic. It is a conjugate acid of a thiosalicylate(1-).
2-Mercaptobenzoic acid Basic Attributes
154.19
154.19
508507
205-704-3
CIP6LXN5XW
660640|2184
DTXSID4049032
SULFUR-YELLOW FLAKES, PLATES, NEEDLES FROM GLACIAL ACETIC ACID OR ALCOHOL|LEAVES OR NEEDLES FROM WATER|CRYSTALS /SODIUM SALT/
29309070
Characteristics
38.3
2.39
White to yellow Fine Crystalline Powder
1.49
168-169 °C
247.55°C (rough estimate)
150 °C
1.5100 (estimate)
SOL IN HOT WATER, ALCOHOL, ETHER, ACETIC ACID; SLIGHTLY soluble IN PETROLEUM ETHER
0-6°C
0.00979mmHg at 25°C
WHEN AN ALCOHOLIC SOLN OF THIOSALICYLIC ACID COMES IN CONTACT WITH FERRIC CHLORIDE, DITHIOSALICYLIC ACID IS PRODUCED|SOFTENS AT 158 °C; SUBLIMES
Safety Information
NONH for all modes of transport
3
36/37/38-20/21/22
26-36/37/39-36
DH3325000
Xi,Xn,N
EXPOSURE TO AIR YIELDS DITHIOSALICYLIC ACID
P261-P305 + P351 + P338
H315-H319-H335
2-Mercaptobenzoic acid Use and Manufacturing
It is prepared by reacting halogenated benzoic acid with hydrogen sulfide in the presence of copper catalyst.
A trapping agent used in the desulfenylation of 3-indolyl sulfides
GRADES: REAGENT; TECHNICAL, 80%; PHARMACEUTICAL.
Benzoic acid, 2-mercapto-: ACTIVE
Cosmetics -> Antioxidant; Keratolytic; Reducing
Computed Properties
Molecular Weight:154.19
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:154.00885060
Monoisotopic Mass:154.00885060
Topological Polar Surface Area:38.3
Heavy Atom Count:10
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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