4-Methoxythiophenol - CAS 696-63-9

Catalog:	BB033918
Product Name:	4-Methoxythiophenol
CAS:	696-63-9
Synonyms:	4-methoxybenzenethiol

Technical Data

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Computed Properties

IUPAC Name:	4-methoxybenzenethiol
Description:	4-Methoxythiophenol (CAS# 696-63-9) is a useful research chemical.
Molecular Weight:	140.20
Molecular Formula:	C7H8OS
Canonical SMILES:	COC1=CC=C(C=C1)S
InChI:	InChI=1S/C7H8OS/c1-8-6-2-4-7(9)5-3-6/h2-5,9H,1H3
InChI Key:	NIFAOMSJMGEFTQ-UHFFFAOYSA-N
Boiling Point:	228 °C
Purity:	98 %
Density:	1.14 g/cm³
Appearance:	Colorless light yellow liquid.
MDL:	MFCD00004849
LogP:	1.98390

Publication Number	Title	Priority Date
US-2021189080-A1	Composition for forming hard coat, method for producing article having hard coat, hard coat, hard-coated article, and silane-modified alicyclic compound	20191212
US-2021147360-A1	Ssao inhibitors and use thereof	20191029
WO-2021083209-A1	Ssao inhibitors and use thereof	20191029
WO-2021076886-A1	3-phenylsulphonyl-quinoline derivatives as agents for treating pathogenic blood vessels disorders	20191018
US-2021147385-A1	Compounds and methods for targeting pathogenic blood vessels	20191018

PMID	Publication Date	Title	Journal
22412655	20120301	1-Meth-oxy-4-({[(4-meth-oxy-phen-yl)-sulfan-yl](phen-yl)meth-yl}sulfan-yl)benzene	Acta crystallographica. Section E, Structure reports online
21583890	20090418	2-(4-Methoxy-phenyl-sulfin-yl)cyclo-hexan-1-one	Acta crystallographica. Section E, Structure reports online
20355157	20090101	Screening for the calstabin-ryanodine receptor complex stabilizers JTV-519 and S-107 in doping control analysis	Drug testing and analysis
21203121	20080705	4-Methoxy-phenyl 2,3,4,6-tetra-O-acetyl-1-thio-α-d-mannopyran-oside	Acta crystallographica. Section E, Structure reports online
21201261	20080104	trans-Bis(4-methoxy-thio-phenolato-κS)bis-(trimethyl-phosphine-κP)nickel(II)	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

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GHS Hazard Statement:	H302 (98.18%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	77
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