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88136-81-6 | 4H-1,3-Thiazin-4-one, 6-methyl-2-(3-pyridinyl)-
CAS No: 88136-81-6 Catalog No: AG004DGV MDL No:
Product Description
Catalog Number:
AG004DGV
Chemical Name:
4H-1,3-Thiazin-4-one, 6-methyl-2-(3-pyridinyl)-
CAS Number:
88136-81-6
Molecular Formula:
C10H8N2OS
Molecular Weight:
204.2483
IUPAC Name:
6-methyl-2-pyridin-3-yl-1,3-thiazin-4-one
InChI:
InChI=1S/C10H8N2OS/c1-7-5-9(13)12-10(14-7)8-3-2-4-11-6-8/h2-6H,1H3
InChI Key:
HMJUVJWAIFNWFD-UHFFFAOYSA-N
SMILES:
O=c1cc(C)sc(n1)c1cccnc1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.247g/mol
Monoisotopic Mass:
204.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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