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88061-23-8 | 4H-1,3-Thiazin-4-one, 6-ethyl-2-methyl-
CAS No: 88061-23-8 Catalog No: AG004FG5 MDL No:
Product Description
Catalog Number:
AG004FG5
Chemical Name:
4H-1,3-Thiazin-4-one, 6-ethyl-2-methyl-
CAS Number:
88061-23-8
Molecular Formula:
C7H9NOS
Molecular Weight:
155.2175
IUPAC Name:
6-ethyl-2-methyl-1,3-thiazin-4-one
InChI:
InChI=1S/C7H9NOS/c1-3-6-4-7(9)8-5(2)10-6/h4H,3H2,1-2H3
InChI Key:
RHGVHNOWEOHAPZ-UHFFFAOYSA-N
SMILES:
CCc1cc(=O)nc(s1)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.04g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.215g/mol
Monoisotopic Mass:
155.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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