3-Mercaptobenzoic acid - CAS 4869-59-4

Catalog:	BB026580
Product Name:	3-Mercaptobenzoic acid
CAS:	4869-59-4
Synonyms:	3-sulfanylbenzoic acid

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	3-sulfanylbenzoic acid
Description:	An aromatic thiol compound reducing agent hair cosmetic.
Molecular Weight:	154.19
Molecular Formula:	C7H6O2S
Canonical SMILES:	C1=CC(=CC(=C1)S)C(=O)O
InChI:	InChI=1S/C7H6O2S/c8-7(9)5-2-1-3-6(10)4-5/h1-4,10H,(H,8,9)
InChI Key:	RSFDFESMVAIVKO-UHFFFAOYSA-N
Boiling Point:	322.7 °C at 760 mmHg
Purity:	97 %
Density:	1.345 g/cm³
Appearance:	White to off-white solid
MDL:	MFCD00238636
LogP:	1.67350

Publication Number	Title	Priority Date
CN-113158467-A	Quantitative analysis model and method based on normalized surface enhanced Raman scattering technology	20210425
CN-112521296-B	Diamine compound, heat-resistant resin or heat-resistant resin precursor using same, photosensitive resin composition, cured film, and display device	20210205
CN-112500570-A	Flexible display device, polyamic acid varnish for display, and polyimide film	20210204
CN-112500570-B	Flexible display device, polyamic acid varnish for display, and polyimide film	20210204
CN-112705724-A	Adjustable gold nanostructure and preparation method and application thereof	20201207

PMID	Publication Date	Title	Journal
21984057	20111121	Raman spectroscopy probing of self-assembled monolayers inside the pores of gold nanotube membranes	Physical chemistry chemical physics : PCCP
21861917	20110823	Protective effect of quercetin against oxidative stress caused by dimethoate in human peripheral blood lymphocytes	Lipids in health and disease
21722381	20110701	Induction of Epstein-Barr virus (EBV) lytic cycle in vitro causes lipid peroxidation, protein oxidation and DNA damage in lymphoblastoid B cell lines	Lipids in health and disease
19822427	20091115	Inhibitors of bacterial N-succinyl-L,L-diaminopimelic acid desuccinylase (DapE) and demonstration of in vitro antimicrobial activity	Bioorganic & medicinal chemistry letters
18215649	20080211	Development of a high-throughput enzyme-linked immunosorbent assay for the routine detection of the carcinogen acrylamide in food, via rapid derivatisation pre-analysis	Analytica chimica acta

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.00885060
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	154.00885060
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3