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89767-72-6 | Isothiazole, 4,5-dihydro-4,4,5,5-tetramethyl-3-phenyl-
CAS No: 89767-72-6 Catalog No: AG008782 MDL No:
Product Description
Catalog Number:
AG008782
Chemical Name:
Isothiazole, 4,5-dihydro-4,4,5,5-tetramethyl-3-phenyl-
CAS Number:
89767-72-6
Molecular Formula:
C13H17NS
Molecular Weight:
219.3458
IUPAC Name:
4,4,5,5-tetramethyl-3-phenyl-1,2-thiazole
InChI:
InChI=1S/C13H17NS/c1-12(2)11(14-15-13(12,3)4)10-8-6-5-7-9-10/h5-9H,1-4H3
InChI Key:
QIRCERWHVFRTCM-UHFFFAOYSA-N
SMILES:
CC1(C)C(=NSC1(C)C)c1ccccc1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.108g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.346g/mol
Monoisotopic Mass:
219.108g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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