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122732-91-6 | Benzene, 1,1'-[(2-cyclohexylcyclobutylidene)bis(thio)]bis-
CAS No: 122732-91-6 Catalog No: AG000J7Z MDL No:
Product Description
Catalog Number:
AG000J7Z
Chemical Name:
Benzene, 1,1'-[(2-cyclohexylcyclobutylidene)bis(thio)]bis-
CAS Number:
122732-91-6
Molecular Formula:
C22H26S2
Molecular Weight:
354.5718
IUPAC Name:
2-(2-cyclohexyl-1-thiophen-2-ylcyclobutyl)thiophene
InChI:
InChI=1S/C18H22S2/c1-2-6-14(7-3-1)15-10-11-18(15,16-8-4-12-19-16)17-9-5-13-20-17/h4-5,8-9,12-15H,1-3,6-7,10-11H2
InChI Key:
ADGGYNYHVUCJNP-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)C1CCC1(Sc1ccccc1)Sc1ccccc1
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.494g/mol
Monoisotopic Mass:
302.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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