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88136-77-0 | 4H-1,3-Thiazin-4-one, 6-(1-methylethyl)-2-phenyl-
CAS No: 88136-77-0 Catalog No: AG008C6K MDL No:
Product Description
Catalog Number:
AG008C6K
Chemical Name:
4H-1,3-Thiazin-4-one, 6-(1-methylethyl)-2-phenyl-
CAS Number:
88136-77-0
Molecular Formula:
C13H13NOS
Molecular Weight:
231.3134
IUPAC Name:
2-phenyl-6-propan-2-yl-1,3-thiazin-4-one
InChI:
InChI=1S/C13H13NOS/c1-9(2)11-8-12(15)14-13(16-11)10-6-4-3-5-7-10/h3-9H,1-2H3
InChI Key:
ASAYQPYQXVNQIB-UHFFFAOYSA-N
SMILES:
O=c1cc(sc(n1)c1ccccc1)C(C)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.313g/mol
Monoisotopic Mass:
231.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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