3-Ethoxythiophenol - CAS 86704-82-7

Catalog:	BB038039
Product Name:	3-Ethoxythiophenol
CAS:	86704-82-7
Synonyms:	3-ethoxybenzenethiol

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Computed Properties

IUPAC Name:	3-ethoxybenzenethiol
Description:	3-Ethoxythiophenol (CAS# 86704-82-7 ) is a useful research chemical.
Molecular Weight:	154.23
Molecular Formula:	C8H10OS
Canonical SMILES:	CCOC1=CC(=CC=C1)S
InChI:	InChI=1S/C8H10OS/c1-2-9-7-4-3-5-8(10)6-7/h3-6,10H,2H2,1H3
InChI Key:	RTJMJGJLVSKSEB-UHFFFAOYSA-N
Boiling Point:	240.8 °C at 760 mmHg
Purity:	98 %
Density:	1.096 g/cm³
MDL:	MFCD03094660
LogP:	2.37400

Publication Number	Title	Priority Date
WO-2020089901-A1	Chemically sensitive sensor comprising micro-barrier and method of fabrication thereof	20181101
CN-113383230-A	Chemically sensitive sensor comprising a micro-barrier and method for manufacturing the same	20181101
EP-3874259-A1	Chemically sensitive sensor comprising micro-barrier and method of fabrication thereof	20181101
WO-2020089901-A9	Chemically sensitive sensor comprising micro-barrier and method of fabrication thereof	20181101
WO-2019196953-A1	Ntcp inhibitors	20180413

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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, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	95.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.04523611
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.04523611
Rotatable Bond Count:	2
Topological Polar Surface Area:	10.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5