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13616-69-8 | 4,5-Dimethyl-2-phenyl-3,6-dihydro-2H-1,2-thiazine 1-oxide
CAS No: 13616-69-8 Catalog No: AG008066 MDL No:
Product Description
Catalog Number:
AG008066
Chemical Name:
4,5-Dimethyl-2-phenyl-3,6-dihydro-2H-1,2-thiazine 1-oxide
CAS Number:
13616-69-8
Molecular Formula:
C12H15NOS
Molecular Weight:
221.3186
IUPAC Name:
4,5-dimethyl-2-phenyl-3,6-dihydrothiazine 1-oxide
InChI:
InChI=1S/C12H15NOS/c1-10-8-13(15(14)9-11(10)2)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3
InChI Key:
AEKOUOIDAINDAN-UHFFFAOYSA-N
SMILES:
CC1=C(C)CS(=O)N(C1)c1ccccc1
NSC Number:
527525
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.318g/mol
Monoisotopic Mass:
221.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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