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105942-32-3 | Methanone, 4H-1,4-benzothiazin-2-yl-2-thienyl-
CAS No: 105942-32-3 Catalog No: AG007EKF MDL No:
Product Description
Catalog Number:
AG007EKF
Chemical Name:
Methanone, 4H-1,4-benzothiazin-2-yl-2-thienyl-
CAS Number:
105942-32-3
Molecular Formula:
C13H9NOS2
Molecular Weight:
259.3467
IUPAC Name:
4H-1,4-benzothiazin-2-yl(thiophen-2-yl)methanone
InChI:
InChI=1S/C13H9NOS2/c15-13(11-6-3-7-16-11)12-8-14-9-4-1-2-5-10(9)17-12/h1-8,14H
InChI Key:
JEZLJXMPDVBRCY-UHFFFAOYSA-N
SMILES:
O=C(C1=CNc2c(S1)cccc2)c1cccs1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.013g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.341g/mol
Monoisotopic Mass:
259.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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