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83068-10-4 | Ethanone, 2-(2,3-dihydro-2-benzothiazolyl)-1-(2-thienyl)-
CAS No: 83068-10-4 Catalog No: AG0052KO MDL No:
Product Description
Catalog Number:
AG0052KO
Chemical Name:
Ethanone, 2-(2,3-dihydro-2-benzothiazolyl)-1-(2-thienyl)-
CAS Number:
83068-10-4
Molecular Formula:
C13H11NOS2
Molecular Weight:
261.3625
IUPAC Name:
2-(2,3-dihydro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylethanone
InChI:
InChI=1S/C13H11NOS2/c15-10(12-6-3-7-16-12)8-13-14-9-4-1-2-5-11(9)17-13/h1-7,13-14H,8H2
InChI Key:
FQGCYMFJOSAWSI-UHFFFAOYSA-N
SMILES:
O=C(c1cccs1)CC1Nc2c(S1)cccc2
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.028g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.357g/mol
Monoisotopic Mass:
261.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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