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82409-32-3 | 2H-1,4-Thiazin-3(4H)-one, 2-(benzoyloxy)-4-(1-methylethyl)-
CAS No: 82409-32-3 Catalog No: AG008JZW MDL No:
Product Description
Catalog Number:
AG008JZW
Chemical Name:
2H-1,4-Thiazin-3(4H)-one, 2-(benzoyloxy)-4-(1-methylethyl)-
CAS Number:
82409-32-3
Molecular Formula:
C14H15NO3S
Molecular Weight:
277.3388
IUPAC Name:
(3-oxo-4-propan-2-yl-1,4-thiazin-2-yl) benzoate
InChI:
InChI=1S/C14H15NO3S/c1-10(2)15-8-9-19-14(12(15)16)18-13(17)11-6-4-3-5-7-11/h3-10,14H,1-2H3
InChI Key:
PMXMMHQUVLMJOH-UHFFFAOYSA-N
SMILES:
CC(N1C=CSC(C1=O)OC(=O)c1ccccc1)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.338g/mol
Monoisotopic Mass:
277.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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