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63450-60-2 | 2-[(3,5,5-Trimethyl-2-cyclohexene-1-ylidene)methyl]-3-ethylbenzothiazolium
CAS No: 63450-60-2 Catalog No: AG00F62D MDL No:
Product Description
Catalog Number:
AG00F62D
Chemical Name:
2-[(3,5,5-Trimethyl-2-cyclohexene-1-ylidene)methyl]-3-ethylbenzothiazolium
CAS Number:
63450-60-2
IUPAC Name:
3-ethyl-2-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium
InChI:
InChI=1S/C19H24NS/c1-5-20-16-8-6-7-9-17(16)21-18(20)11-15-10-14(2)12-19(3,4)13-15/h6-11H,5,12-13H2,1-4H3/q+1/b15-11+
InChI Key:
HASRMKAJHCVHOP-RVDMUPIBSA-N
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
298.163g/mol
Formal Charge:
1
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.468g/mol
Monoisotopic Mass:
298.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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