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88152-52-7 | 4H-1,3-Thiazin-4-one, 6-ethyl-2,3-dihydro-2-methyl-
CAS No: 88152-52-7 Catalog No: AG004E7X MDL No:
Product Description
Catalog Number:
AG004E7X
Chemical Name:
4H-1,3-Thiazin-4-one, 6-ethyl-2,3-dihydro-2-methyl-
CAS Number:
88152-52-7
Molecular Formula:
C7H11NOS
Molecular Weight:
157.2333
IUPAC Name:
6-ethyl-2-methyl-2,3-dihydro-1,3-thiazin-4-one
InChI:
InChI=1S/C7H11NOS/c1-3-6-4-7(9)8-5(2)10-6/h4-5H,3H2,1-2H3,(H,8,9)
InChI Key:
AJNCQLLNGNTRKY-UHFFFAOYSA-N
SMILES:
CCC1=CC(=O)NC(S1)C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.056g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.231g/mol
Monoisotopic Mass:
157.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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