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101432-45-5 | 1,1'-Biphenyl, 4,4'-bis(ethylthio)-
CAS No: 101432-45-5 Catalog No: AG0004HG MDL No:
Product Description
Catalog Number:
AG0004HG
Chemical Name:
1,1'-Biphenyl, 4,4'-bis(ethylthio)-
CAS Number:
101432-45-5
Molecular Formula:
C16H18S2
Molecular Weight:
274.4441
IUPAC Name:
1-ethylsulfanyl-4-(4-ethylsulfanylphenyl)benzene
InChI:
InChI=1S/C16H18S2/c1-3-17-15-9-5-13(6-10-15)14-7-11-16(12-8-14)18-4-2/h5-12H,3-4H2,1-2H3
InChI Key:
JGXMNYLRFCYSJM-UHFFFAOYSA-N
SMILES:
CCSc1ccc(cc1)c1ccc(cc1)SCC
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.44g/mol
Monoisotopic Mass:
274.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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