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89767-73-7 | Pyridine, 3-(4,5-dihydro-4,4,5,5-tetramethyl-3-isothiazolyl)-
CAS No: 89767-73-7 Catalog No: AG00402R MDL No:
Product Description
Catalog Number:
AG00402R
Chemical Name:
Pyridine, 3-(4,5-dihydro-4,4,5,5-tetramethyl-3-isothiazolyl)-
CAS Number:
89767-73-7
Molecular Formula:
C12H16N2S
Molecular Weight:
220.3338
IUPAC Name:
4,4,5,5-tetramethyl-3-pyridin-3-yl-1,2-thiazole
InChI:
InChI=1S/C12H16N2S/c1-11(2)10(14-15-12(11,3)4)9-6-5-7-13-8-9/h5-8H,1-4H3
InChI Key:
BNONHKMXXPQQMN-UHFFFAOYSA-N
SMILES:
CC1(C)SN=C(C1(C)C)c1cccnc1
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.103g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.334g/mol
Monoisotopic Mass:
220.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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