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142144-51-2 | Benzene, 1,1'-[1-(phenylthio)-1-buten-3-yne-1,4-diyl]bis- (9CI)
CAS No: 142144-51-2 Catalog No: AG001HUQ MDL No:
Product Description
Catalog Number:
AG001HUQ
Chemical Name:
Benzene, 1,1'-[1-(phenylthio)-1-buten-3-yne-1,4-diyl]bis- (9CI)
CAS Number:
142144-51-2
Molecular Formula:
C22H16S
Molecular Weight:
312.4274
IUPAC Name:
1,4-diphenylbut-1-en-3-ynylsulfanylbenzene
InChI:
InChI=1S/C22H16S/c1-4-11-19(12-5-1)13-10-18-22(20-14-6-2-7-15-20)23-21-16-8-3-9-17-21/h1-9,11-12,14-18H
InChI Key:
QYERVDVAYWJRJK-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C#CC=C(c1ccccc1)Sc1ccccc1
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.097g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.43g/mol
Monoisotopic Mass:
312.097g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.4
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