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117482-76-5 | Benzonitrile, 4-(octadecylthio)-
CAS No: 117482-76-5 Catalog No: AG000ECH MDL No:
Product Description
Catalog Number:
AG000ECH
Chemical Name:
Benzonitrile, 4-(octadecylthio)-
CAS Number:
117482-76-5
Molecular Formula:
C25H41NS
Molecular Weight:
387.6647
IUPAC Name:
4-octadecylsulfanylbenzonitrile
InChI:
InChI=1S/C25H41NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25-20-18-24(23-26)19-21-25/h18-21H,2-17,22H2,1H3
InChI Key:
WSRJSKMFEHWCGL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCSc1ccc(cc1)C#N
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.296g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.67g/mol
Monoisotopic Mass:
387.296g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11
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