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88861-20-5 | Isothiazole, 2,5-dihydro-5,5-dimethyl-2-phenyl-, 1-oxide
CAS No: 88861-20-5 Catalog No: AG0049PA MDL No:
Product Description
Catalog Number:
AG0049PA
Chemical Name:
Isothiazole, 2,5-dihydro-5,5-dimethyl-2-phenyl-, 1-oxide
CAS Number:
88861-20-5
Molecular Formula:
C11H13NOS
Molecular Weight:
207.2920
IUPAC Name:
5,5-dimethyl-2-phenyl-1,2-thiazole 1-oxide
InChI:
InChI=1S/C11H13NOS/c1-11(2)8-9-12(14(11)13)10-6-4-3-5-7-10/h3-9H,1-2H3
InChI Key:
DXMCLNGTZMZTGK-UHFFFAOYSA-N
SMILES:
CC1(C)C=CN(S1=O)c1ccccc1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.291g/mol
Monoisotopic Mass:
207.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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