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40524-24-1 | 2H-1,3-Thiazin-2-imine, 3-(2,6-dimethylphenyl)tetrahydro-
CAS No: 40524-24-1 Catalog No: AG0076MY MDL No:
Product Description
Catalog Number:
AG0076MY
Chemical Name:
2H-1,3-Thiazin-2-imine, 3-(2,6-dimethylphenyl)tetrahydro-
CAS Number:
40524-24-1
Molecular Formula:
C12H16N2S
Molecular Weight:
220.3338
IUPAC Name:
3-(2,6-dimethylphenyl)-1,3-thiazinan-2-imine
InChI:
InChI=1S/C12H16N2S/c1-9-5-3-6-10(2)11(9)14-7-4-8-15-12(14)13/h3,5-6,13H,4,7-8H2,1-2H3
InChI Key:
XNQHNTPYDBTOII-UHFFFAOYSA-N
SMILES:
N=C1SCCCN1c1c(C)cccc1C
Properties
Complexity:
232
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.334g/mol
Monoisotopic Mass:
220.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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