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60666-83-3

60666-83-3 | 3-(BENZYLOXY)ISOTHIAZOLE

CAS No: 60666-83-3 Catalog No: AG01DME6 MDL No:

Product Description

Catalog Number:
AG01DME6
Chemical Name:
3-(BENZYLOXY)ISOTHIAZOLE
CAS Number:
60666-83-3
IUPAC Name:
3-phenylmethoxy-1,2-thiazole
InChI:
InChI=1S/C10H9NOS/c1-2-4-9(5-3-1)8-12-10-6-7-13-11-10/h1-7H,8H2
InChI Key:
AIQQNUUPCJHSNJ-UHFFFAOYSA-N

Properties

Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.248g/mol
Monoisotopic Mass:
191.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Literature

Title Journal
Synthesis of aryl- and heteroaryl-substituted 3-benzyloxyisothiazoles via Suzuki and Negishi cross-coupling reactions. The Journal of organic chemistry 20040220
Regioselective lithiation and functionalization of 3-(benzyloxy)isothiazole: application to the synthesis of thioibotenic acid. The Journal of organic chemistry 20020405

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