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80419-43-8 | Cyclohexanone, 2-(3-methyl-2(3H)-benzothiazolylidene)-
CAS No: 80419-43-8 Catalog No: AG005LDA MDL No:
Product Description
Catalog Number:
AG005LDA
Chemical Name:
Cyclohexanone, 2-(3-methyl-2(3H)-benzothiazolylidene)-
CAS Number:
80419-43-8
Molecular Formula:
C14H15NOS
Molecular Weight:
245.3400
IUPAC Name:
2-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexan-1-one
InChI:
InChI=1S/C14H15NOS/c1-15-11-7-3-5-9-13(11)17-14(15)10-6-2-4-8-12(10)16/h3,5,7,9H,2,4,6,8H2,1H3
InChI Key:
USEAUJYPNHITIS-UHFFFAOYSA-N
SMILES:
Cn1c(=C2CCCCC2=O)sc2c1cccc2
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.34g/mol
Monoisotopic Mass:
245.087g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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