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893734-96-8 | 4'-(Methylthio)-[1,1'-biphenyl]-3-carbonitrile
CAS No: 893734-96-8 Catalog No: AG003X3P MDL No:MFCD05980600
Product Description
Catalog Number:
AG003X3P
Chemical Name:
4'-(Methylthio)-[1,1'-biphenyl]-3-carbonitrile
CAS Number:
893734-96-8
Molecular Formula:
C14H11NS
Molecular Weight:
225.3088
MDL Number:
MFCD05980600
IUPAC Name:
3-(4-methylsulfanylphenyl)benzonitrile
InChI:
InChI=1S/C14H11NS/c1-16-14-7-5-12(6-8-14)13-4-2-3-11(9-13)10-15/h2-9H,1H3
InChI Key:
YWSOBYWFXBMPSS-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1cccc(c1)C#N
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.309g/mol
Monoisotopic Mass:
225.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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