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88340-49-2 | Cyclohexanone, 2-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-
CAS No: 88340-49-2 Catalog No: AG0047SH MDL No:
Product Description
Catalog Number:
AG0047SH
Chemical Name:
Cyclohexanone, 2-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-
CAS Number:
88340-49-2
Molecular Formula:
C17H19NOS
Molecular Weight:
285.4039
IUPAC Name:
2-[2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclohexan-1-one
InChI:
InChI=1S/C17H19NOS/c1-2-18-14-8-4-6-10-16(14)20-17(18)12-11-13-7-3-5-9-15(13)19/h4,6,8,10-12H,2-3,5,7,9H2,1H3
InChI Key:
PMHUNQFFLVMHAM-UHFFFAOYSA-N
SMILES:
CCn1c(=CC=C2CCCCC2=O)sc2c1cccc2
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.119g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.405g/mol
Monoisotopic Mass:
285.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.2
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