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29167-36-0 | Benzene, 1,1',1''-[(2-propyn-1-ylthio)methylidyne]tris-
CAS No: 29167-36-0 Catalog No: AG002XJA MDL No:
Product Description
Catalog Number:
AG002XJA
Chemical Name:
Benzene, 1,1',1''-[(2-propyn-1-ylthio)methylidyne]tris-
CAS Number:
29167-36-0
Molecular Formula:
C22H18S
Molecular Weight:
314.4433
IUPAC Name:
[diphenyl(prop-2-ynylsulfanyl)methyl]benzene
InChI:
InChI=1S/C22H18S/c1-2-18-23-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h1,3-17H,18H2
InChI Key:
HKLNZDKXPFVFED-UHFFFAOYSA-N
SMILES:
C#CCSC(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.113g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.446g/mol
Monoisotopic Mass:
314.113g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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