[4-(Methylthio)phenoxy]acetic Acid - CAS 15267-49-9

Catalog:	BB010808
Product Name:	[4-(Methylthio)phenoxy]acetic Acid
CAS:	15267-49-9
Synonyms:	2-[4-(methylthio)phenoxy]acetic acid; 2-(4-methylsulfanylphenoxy)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(4-methylsulfanylphenoxy)acetic acid
Description:	[4-(Methylthio)phenoxy]acetic Acid (CAS# 15267-49-9) is a useful research chemical compound.
Molecular Weight:	198.24
Molecular Formula:	C9H10O3S
Canonical SMILES:	CSC1=CC=C(C=C1)OCC(=O)O
InChI:	InChI=1S/C9H10O3S/c1-13-8-4-2-7(3-5-8)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key:	OVKQUYSTJGUONY-UHFFFAOYSA-N
Boiling Point:	359.2 °C at 760 mmHg
Density:	1.28 g/cm³
MDL:	MFCD00233485
LogP:	1.87190

Publication Number	Title	Priority Date
TW-201514152-A	Cinnamic acid amide derivative	20130311
TW-201130832-A	Novel compounds	20091203
TW-200800208-A	1-Aminophthalazine derivatives, preparation thereof and therapeutic application thereof	20051012
US-3449325-A	Penicillins and process for preparing them	19630713
US-3461116-A	Mercapto-phenoxymethyl-penicillins	19630713

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Complexity:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.03506535
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	198.03506535
Rotatable Bond Count:	4
Topological Polar Surface Area:	71.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3