4-(Thiophen-3-yl)phenol - CAS 29886-67-7

Catalog:	BB020368
Product Name:	4-(Thiophen-3-yl)phenol
CAS:	29886-67-7
Synonyms:	4-thiophen-3-ylphenol

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Computed Properties

IUPAC Name:	4-thiophen-3-ylphenol
Description:	4-(Thiophen-3-yl)phenol (CAS# 29886-67-7) is a useful research chemical.
Molecular Weight:	176.23
Molecular Formula:	C10H8OS
Canonical SMILES:	C1=CC(=CC=C1C2=CSC=C2)O
InChI:	InChI=1S/C10H8OS/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-7,11H
InChI Key:	OSVHLBAYRTYKBI-UHFFFAOYSA-N
Boiling Point:	276.8 °C at 760 mmHg
Density:	1.235 g/cm³
MDL:	MFCD06798133
LogP:	3.12070

Publication Number	Title	Priority Date
US-10494328-B2	Amination and hydroxylation of arylmetal compounds	20160725
US-2018057444-A1	Amination and hydroxylation of arylmetal compounds	20160725
AU-2016233595-A1	Fluorogenic and chromogenic substrate	20150313
CA-2977676-A1	Fluorogenic and chromogenic substrate	20150313
EP-3268489-A1	Fluorogenic and chromogenic substrate	20150313

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Related Functional Groups

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Ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.02958605
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.02958605
Rotatable Bond Count:	1
Topological Polar Surface Area:	48.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9