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75354-86-8 | Benzene, 1,1'-[2,4-hexadiyne-1,6-diylbis(thio)]bis-
CAS No: 75354-86-8 Catalog No: AG005BYD MDL No:
Product Description
Catalog Number:
AG005BYD
Chemical Name:
Benzene, 1,1'-[2,4-hexadiyne-1,6-diylbis(thio)]bis-
CAS Number:
75354-86-8
Molecular Formula:
C18H14S2
Molecular Weight:
294.4338
IUPAC Name:
6-phenylsulfanylhexa-2,4-diynylsulfanylbenzene
InChI:
InChI=1S/C18H14S2/c1(9-15-19-17-11-5-3-6-12-17)2-10-16-20-18-13-7-4-8-14-18/h3-8,11-14H,15-16H2
InChI Key:
SLJKJGSMOBPJKM-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)SCC#CC#CCSc1ccccc1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.054g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.43g/mol
Monoisotopic Mass:
294.054g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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