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86333-17-7 | Ethanone, 1-(4H-1,4-benzothiazin-2-yl)-
CAS No: 86333-17-7 Catalog No: AG008ERU MDL No:
Product Description
Catalog Number:
AG008ERU
Chemical Name:
Ethanone, 1-(4H-1,4-benzothiazin-2-yl)-
CAS Number:
86333-17-7
Molecular Formula:
C10H9NOS
Molecular Weight:
191.2496
IUPAC Name:
1-(4H-1,4-benzothiazin-2-yl)ethanone
InChI:
InChI=1S/C10H9NOS/c1-7(12)10-6-11-8-4-2-3-5-9(8)13-10/h2-6,11H,1H3
InChI Key:
JNJYZVIEZHFUOS-UHFFFAOYSA-N
SMILES:
CC(=O)C1=CNc2c(S1)cccc2
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.248g/mol
Monoisotopic Mass:
191.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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