2-Fluorothioanisole - CAS 655-20-9

Catalog:	BB032752
Product Name:	2-Fluorothioanisole
CAS:	655-20-9
Synonyms:	1-fluoro-2-methylsulfanylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1-fluoro-2-methylsulfanylbenzene
Description:	2-Fluorothioanisole (CAS# 655-20-9) is a useful research chemical.
Molecular Weight:	142.19
Molecular Formula:	C7H7FS
Canonical SMILES:	CSC1=CC=CC=C1F
InChI:	InChI=1S/C7H7FS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
InChI Key:	AYTSELVZWGHUEE-UHFFFAOYSA-N
Boiling Point:	197-199 °C
Purity:	98 %
Density:	1.174 g/cm³
MDL:	MFCD03093762
LogP:	2.54760

Publication Number	Title	Priority Date
WO-2021120835-A1	Nitrogen-containing compound, organic electroluminescent device, and electronic apparatus	20191220
WO-2020185928-A1	Charged ion channel blockers and methods for use	20190311
US-10604507-B2	Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof	20180605
US-10766877-B2	Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof	20180605
TW-201940470-A	Novel heterocyclic compounds	20180309

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Related Functional Groups

Sulfur Compounds

[123-43-3]
Sulfoacetic acid
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[6633-90-5]
1,4-Butanedithiol diacetate
[85-47-2]
1-Naphthalenesulfonic acid
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[874-87-3]
4-(Methylthio)benzyl chloride

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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:	85
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.02524956
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	142.02524956
Rotatable Bond Count:	1
Topological Polar Surface Area:	25.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5