3-Methoxythiobenzamide - CAS 64559-06-4

Catalog:	BB032504
Product Name:	3-Methoxythiobenzamide
CAS:	64559-06-4
Synonyms:	3-methoxybenzenecarbothioamide

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Computed Properties

IUPAC Name:	3-methoxybenzenecarbothioamide
Description:	3-Methoxythiobenzamide (CAS# 64559-06-4) is a useful research chemical.
Molecular Weight:	167.23
Molecular Formula:	C8H9NOS
Canonical SMILES:	COC1=CC=CC(=C1)C(=S)N
InChI:	InChI=1S/C8H9NOS/c1-10-7-4-2-3-6(5-7)8(9)11/h2-5H,1H3,(H2,9,11)
InChI Key:	LQSZSWBMLMGWPC-UHFFFAOYSA-N
Boiling Point:	298.8 °C at 760 mmHg
Purity:	98+ %
Density:	1.194 g/cm³
MDL:	MFCD04627361
LogP:	2.02970

Publication Number	Title	Priority Date
CN-107879994-A	A kind of synthetic method of thiazole compound	20171031
BR-112019010268-A2	curable polymer latex compositions for the manufacture of rubber articles	20161215
EP-3555198-A1	Curable polymer latex compositions for the manufacture of rubber articles	20161215
JP-2020503401-A	Curable polymer latex compositions for rubber product manufacture	20161215
KR-20190090391-A	Curable polymer latex composition for making rubber products	20161215

PMID	Publication Date	Title	Journal
19064318	20090115	Antibacterial alkoxybenzamide inhibitors of the essential bacterial cell division protein FtsZ	Bioorganic & medicinal chemistry letters

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Related Functional Groups

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[2170450-99-2]
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[21124-33-4]
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[52147-97-4]
trans-β-Styrenesulfonyl chloride

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GHS Hazard Statement:	H302 (13.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	149
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:	1.4