200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 206559-54-8
206559-54-8 | Benzene, 1-decyl-4-isothiocyanato-
CAS No: 206559-54-8 Catalog No: AG002IK4 MDL No:MFCD00060702
Product Description
Catalog Number:
AG002IK4
Chemical Name:
Benzene, 1-decyl-4-isothiocyanato-
CAS Number:
206559-54-8
Molecular Formula:
C17H25NS
Molecular Weight:
275.4521
MDL Number:
MFCD00060702
IUPAC Name:
1-decyl-4-isothiocyanatobenzene
InChI:
InChI=1S/C17H25NS/c1-2-3-4-5-6-7-8-9-10-16-11-13-17(14-12-16)18-15-19/h11-14H,2-10H2,1H3
InChI Key:
KLRFMWXUZQXOFA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCc1ccc(cc1)N=C=S
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.171g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.454g/mol
Monoisotopic Mass:
275.171g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.