200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 123501-95-1
123501-95-1 | 1,1'-Biphenyl, 4-butyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-
CAS No: 123501-95-1 Catalog No: AG000KPJ MDL No:
Product Description
Catalog Number:
AG000KPJ
Chemical Name:
1,1'-Biphenyl, 4-butyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-
CAS Number:
123501-95-1
Molecular Formula:
C25H25NS
Molecular Weight:
371.5377
IUPAC Name:
1-butyl-4-[4-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene
InChI:
InChI=1S/C25H25NS/c1-2-3-4-20-7-13-23(14-8-20)24-15-9-21(10-16-24)5-6-22-11-17-25(18-12-22)26-19-27/h7-18H,2-6H2,1H3
InChI Key:
HBSCLMKACLYLSY-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)c1ccc(cc1)CCc1ccc(cc1)N=C=S
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.171g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.542g/mol
Monoisotopic Mass:
371.171g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.