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88061-24-9 | 4H-1,3-Thiazin-4-one, 2-methyl-6-(1-methylethyl)-
CAS No: 88061-24-9 Catalog No: AG008D6Y MDL No:
Product Description
Catalog Number:
AG008D6Y
Chemical Name:
4H-1,3-Thiazin-4-one, 2-methyl-6-(1-methylethyl)-
CAS Number:
88061-24-9
Molecular Formula:
C8H11NOS
Molecular Weight:
169.2440
IUPAC Name:
2-methyl-6-propan-2-yl-1,3-thiazin-4-one
InChI:
InChI=1S/C8H11NOS/c1-5(2)7-4-8(10)9-6(3)11-7/h4-5H,1-3H3
InChI Key:
INADKFQOUAYNJG-UHFFFAOYSA-N
SMILES:
O=c1cc(sc(n1)C)C(C)C
Properties
Complexity:
241
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:
2
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:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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