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77831-95-9 | 4H-1,3-Thiazin-4-one, 2-(1,1-dimethylethyl)-6-methyl-
CAS No: 77831-95-9 Catalog No: AG0057FG MDL No:
Product Description
Catalog Number:
AG0057FG
Chemical Name:
4H-1,3-Thiazin-4-one, 2-(1,1-dimethylethyl)-6-methyl-
CAS Number:
77831-95-9
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
IUPAC Name:
2-tert-butyl-6-methyl-1,3-thiazin-4-one
InChI:
InChI=1S/C9H13NOS/c1-6-5-7(11)10-8(12-6)9(2,3)4/h5H,1-4H3
InChI Key:
GPJREOIVHONXIT-UHFFFAOYSA-N
SMILES:
O=c1cc(C)sc(n1)C(C)(C)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.269g/mol
Monoisotopic Mass:
183.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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