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823801-73-6 | Ethanone, 1-(4,5-dimethyl-4H-1,4-thiazin-2-yl)-
CAS No: 823801-73-6 Catalog No: AG008KBD MDL No:
Product Description
Catalog Number:
AG008KBD
Chemical Name:
Ethanone, 1-(4,5-dimethyl-4H-1,4-thiazin-2-yl)-
CAS Number:
823801-73-6
Molecular Formula:
C8H11NOS
Molecular Weight:
169.2440
IUPAC Name:
1-(4,5-dimethyl-1,4-thiazin-2-yl)ethanone
InChI:
InChI=1S/C8H11NOS/c1-6-5-11-8(7(2)10)4-9(6)3/h4-5H,1-3H3
InChI Key:
JWLYGRAZUVFSCK-UHFFFAOYSA-N
SMILES:
CC1=CSC(=CN1C)C(=O)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.242g/mol
Monoisotopic Mass:
169.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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