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88861-22-7

88861-22-7 | Isothiazole, 2,5-dihydro-5,5-dimethyl-2,3-diphenyl-, 1-oxide

CAS No: 88861-22-7 Catalog No: AG004AOJ MDL No:

Product Description

Catalog Number:
AG004AOJ
Chemical Name:
Isothiazole, 2,5-dihydro-5,5-dimethyl-2,3-diphenyl-, 1-oxide
CAS Number:
88861-22-7
Molecular Formula:
C17H17NOS
Molecular Weight:
283.3880
IUPAC Name:
5,5-dimethyl-2,3-diphenyl-1,2-thiazole 1-oxide
InChI:
InChI=1S/C17H17NOS/c1-17(2)13-16(14-9-5-3-6-10-14)18(20(17)19)15-11-7-4-8-12-15/h3-13H,1-2H3
InChI Key:
OXJMRZANHBKLFJ-UHFFFAOYSA-N
SMILES:
O=S1N(c2ccccc2)C(=CC1(C)C)c1ccccc1

Properties

Complexity:
403  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.103g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.389g/mol
Monoisotopic Mass:
283.103g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

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