4-Methoxythiobenzamide - CAS 2362-64-3

Catalog:	BB018121
Product Name:	4-Methoxythiobenzamide
CAS:	2362-64-3
Synonyms:	4-methoxybenzenecarbothioamide

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Computed Properties

IUPAC Name:	4-methoxybenzenecarbothioamide
Description:	4-Methoxythiobenzamide (CAS# 2362-64-3) is a useful research chemical.
Molecular Weight:	167.23
Molecular Formula:	C8H9NOS
Canonical SMILES:	COC1=CC=C(C=C1)C(=S)N
InChI:	InChI=1S/C8H9NOS/c1-10-7-4-2-6(3-5-7)8(9)11/h2-5H,1H3,(H2,9,11)
InChI Key:	WKWVTPKUHJOVTI-UHFFFAOYSA-N
Boiling Point:	288.5 °C at 760 mmHg
Melting Point:	145-149 °C (lit.)
Purity:	98+ %
Density:	1.194 g/cm³
Appearance:	Yellow powder
Storage:	Refrigerator (+4 °C)
MDL:	MFCD00040993
LogP:	2.02970

Publication Number	Title	Priority Date
CN-113189842-A	Preparation method of color filter	20201220
US-2021251982-A1	Methods for treating neurological symptoms associated with lysosomal storage diseases	20200203
WO-2021156769-A1	Methods for treating neurological symptoms associated with lysosomal storage diseases	20200203
WO-2020163244-A1	Methods for treating symptoms and disorders associated with lysosomal storage diseases	20190204
WO-2020163245-A1	Methods for treating symptoms and disorders associated with lysosomal storage diseases	20190204

PMID	Publication Date	Title	Journal
21579373	20100508	4-Methoxy-benzene-carbothio-amide	Acta crystallographica. Section E, Structure reports online
4234663	19661101	[Chemical studies the mechanism of action of isoniazid]	Arzneimittel-Forschung

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Related Functional Groups

Sulfur Compounds

[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[6633-90-5]
1,4-Butanedithiol diacetate
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[874-87-3]
4-(Methylthio)benzyl chloride
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate

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GHS Hazard Statement:	H302 (13.64%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P321, P330, P333+P313, P363, and P501
Signal Word:	Warning

Complexity:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.04048508
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	167.04048508
Rotatable Bond Count:	2
Topological Polar Surface Area:	67.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6