2-Methoxybenzothiazole - CAS 63321-86-8

Catalog:	BB032097
Product Name:	2-Methoxybenzothiazole
CAS:	63321-86-8
Synonyms:	2-methoxy-1,3-benzothiazole

Technical Data

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Computed Properties

IUPAC Name:	2-methoxy-1,3-benzothiazole
Description:	2-Methoxybenzothiazole (CAS# 63321-86-8) is a useful research chemical.
Molecular Weight:	165.21
Molecular Formula:	C8H7NOS
Canonical SMILES:	COC1=NC2=CC=CC=C2S1
InChI:	InChI=1S/C8H7NOS/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3
InChI Key:	OJKLTHIQRARJCE-UHFFFAOYSA-N
Boiling Point:	248.7 °C at 760 mmHg
Density:	1.268 g/cm³
LogP:	2.30490

Publication Number	Title	Priority Date
KR-102178181-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
KR-20200076655-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
WO-2021100654-A1	Compound, polymerizable composition, polymer, holographic recording medium, optical material and optical component	20191119
WO-2020130214-A1	Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof	20181219
KR-20200076808-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20181219

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501
Signal Word:	Warning

Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.02483502
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	165.02483502
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6