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143796-80-9

143796-80-9 | 1,3-Dithiolane, 2-(4'-ethyl[1,1'-biphenyl]-4-yl)-

CAS No: 143796-80-9 Catalog No: AG001ID6 MDL No:

Product Description

Catalog Number:
AG001ID6
Chemical Name:
1,3-Dithiolane, 2-(4'-ethyl[1,1'-biphenyl]-4-yl)-
CAS Number:
143796-80-9
Molecular Formula:
C17H18S2
Molecular Weight:
286.4548
IUPAC Name:
2-[4-(4-ethylphenyl)phenyl]-1,3-dithiolane
InChI:
InChI=1S/C17H18S2/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-18-11-12-19-17/h3-10,17H,2,11-12H2,1H3
InChI Key:
PZBMLZJBLMKJKW-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)c1ccc(cc1)C1SCCS1

Properties

Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.085g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.451g/mol
Monoisotopic Mass:
286.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  

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