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871717-36-1 | Ethanone, 2-(3-heptyl-2(3H)-benzothiazolylidene)-1-(2-thienyl)-
CAS No: 871717-36-1 Catalog No: AG004KDH MDL No:
Product Description
Catalog Number:
AG004KDH
Chemical Name:
Ethanone, 2-(3-heptyl-2(3H)-benzothiazolylidene)-1-(2-thienyl)-
CAS Number:
871717-36-1
Molecular Formula:
C20H23NOS2
Molecular Weight:
357.5327
IUPAC Name:
2-(3-heptyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylethanone
InChI:
InChI=1S/C20H23NOS2/c1-2-3-4-5-8-13-21-16-10-6-7-11-18(16)24-20(21)15-17(22)19-12-9-14-23-19/h6-7,9-12,14-15H,2-5,8,13H2,1H3
InChI Key:
YBKUSXMCMQHKBX-UHFFFAOYSA-N
SMILES:
CCCCCCCn1c(=CC(=O)c2cccs2)sc2c1cccc2
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.122g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.53g/mol
Monoisotopic Mass:
357.122g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.8
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