2-Methoxythiophenol - CAS 7217-59-6

Catalog:	BB034561
Product Name:	2-Methoxythiophenol
CAS:	7217-59-6
Synonyms:	2-methoxybenzenethiol

Technical Data

Safety and Hazards

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Literatures

Computed Properties

IUPAC Name:	2-methoxybenzenethiol
Description:	2-Methoxythiophenol (CAS# 7217-59-6) is used in the synthesis of berberine-thiophenyl hybrids as multifunctional agents. Inhibition of acetylcholinesterase, butyrylcholinesterase and AB aggregation antioxidant activity.
Molecular Weight:	140.20
Molecular Formula:	C7H8OS
Canonical SMILES:	COC1=CC=CC=C1S
InChI:	InChI=1S/C7H8OS/c1-8-6-4-2-3-5-7(6)9/h2-5,9H,1H3
InChI Key:	DSCJETUEDFKYGN-UHFFFAOYSA-N
Boiling Point:	225-228 °C
Purity:	98 %
Density:	1.14 g/cm³
Appearance:	Clear yellow liquid
MDL:	MFCD00004834
LogP:	1.98390

Publication Number	Title	Priority Date
CN-113264816-A	Spiro [ cyclopropane-1, 2' -indene ] -1',3' -diketone derivative and synthetic method thereof	20210531
CN-113121560-A	Benzothienobenzo five-membered heterocyclic material and preparation method and application thereof	20210329
CN-112574079-A	2, 2-difluoro-N- (2-thioether cyclohexyl-1-alkene-1-base) acetamide and derivative and synthesis method thereof	20201214
CN-112574135-A	4-aryl-5-thioether-2-difluoromethyl oxazole, and derivatives and synthesis method thereof	20201214
CN-111748413-A	Coffee extract for cigarettes and preparation method and application thereof	20200813

PMID	Publication Date	Title	Journal
21189019	20110127	Identifying chelators for metalloprotein inhibitors using a fragment-based approach	Journal of medicinal chemistry

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Related Functional Groups

Sulfur Compounds

[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[1778-09-2]
4'-(Methylthio)acetophenone
[874-87-3]
4-(Methylthio)benzyl chloride
[1879-16-9]
4-Methoxythioanisole

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	85
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.02958605
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.02958605
Rotatable Bond Count:	1
Topological Polar Surface Area:	10.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3