2-Mercaptophenol - CAS 1121-24-0

Catalog:	BB002879
Product Name:	2-Mercaptophenol
CAS:	1121-24-0
Synonyms:	2-sulfanylphenol

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Computed Properties

IUPAC Name:	2-sulfanylphenol
Description:	2-Hydroxythiophenol can be used to increase blood-free apoptosis inhibitor of macrophage (AIM).
Molecular Weight:	126.18
Molecular Formula:	C6H6OS
Canonical SMILES:	C1=CC=C(C(=C1)O)S
InChI:	InChI=1S/C6H6OS/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
InChI Key:	VMKYTRPNOVFCGZ-UHFFFAOYSA-N
Boiling Point:	40 ℃
Purity:	98 %
Density:	1.22 g/cm³
Appearance:	Clear pale green to yellow liquid
Storage:	Inert atmosphere, Room Temperature
MDL:	MFCD00040447
LogP:	1.68090

Publication Number	Title	Priority Date
CN-113340873-A	SERS system for simultaneously detecting multiple toxic substances	20210809
CN-113340873-B	SERS system for simultaneously detecting multiple toxic substances	20210809
CN-113351259-A	Method for synthesizing disulfide by catalyzing mercapto compound oxidation with cobalt nanoparticle/carbon fiber composite mesoporous material	20210716
CN-113358626-A	SERS technology-based rapid detection method for trace acetylcholinesterase	20210608
CN-113368836-A	Ionic liquid-multi-stage pore phenolic resin and preparation method and application thereof	20210518

PMID	Publication Date	Title	Journal
22871258	20120807	Molecular characterization of the hexose transporter gene in benznidazole resistant and susceptible populations of Trypanosoma cruzi	Parasites & vectors
22790468	20120601	[Thyroid hormone profile in breast cancer patients in postmenopause]	Arquivos brasileiros de endocrinologia e metabologia
22564656	20120501	Prosthetic endocarditis treated by repeated heart transplantation: report of a successful case	Transplantation proceedings
21510697	20110520	Air- and moisture-stable p-monothiobenzoquinones incorporated in an octaalkyl-s-hydrindacene skeleton	Organic letters
21957931	20110101	Clinical characteristics of young-onset and medical treatment-requiring hypertension identified by targeted screening in university health check-up	Clinical and experimental hypertension (New York, N.Y. : 1993)

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Related Functional Groups

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[1245808-44-9]
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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	74.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.01393598
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	126.01393598
Rotatable Bond Count:	0
Topological Polar Surface Area:	21.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7