200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 123472-67-3
123472-67-3 | 1,1'-Biphenyl, 4-butyl-4'-isothiocyanato-
CAS No: 123472-67-3 Catalog No: AG000KNX MDL No:
Product Description
Catalog Number:
AG000KNX
Chemical Name:
1,1'-Biphenyl, 4-butyl-4'-isothiocyanato-
CAS Number:
123472-67-3
Molecular Formula:
C17H17NS
Molecular Weight:
267.3886
IUPAC Name:
1-butyl-4-(4-isothiocyanatophenyl)benzene
InChI:
InChI=1S/C17H17NS/c1-2-3-4-14-5-7-15(8-6-14)16-9-11-17(12-10-16)18-13-19/h5-12H,2-4H2,1H3
InChI Key:
KIQBGPRGEVHCGI-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)c1ccc(cc1)N=C=S
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.108g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.39g/mol
Monoisotopic Mass:
267.108g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
Literature
| Title | Journal |
|---|---|
| Molecular dynamics and residual entropy in the soft crystal, SmE phase, of 4-butyl-4'-isothiocyano-1,1'-biphenyl. | The journal of physical chemistry. B 20050526 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.