200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 144027-76-9
144027-76-9 | Undecane, 1-isothiocyanato-11-(methylthio)-
CAS No: 144027-76-9 Catalog No: AG001ITX MDL No:
Product Description
Catalog Number:
AG001ITX
Chemical Name:
Undecane, 1-isothiocyanato-11-(methylthio)-
CAS Number:
144027-76-9
Molecular Formula:
C13H25NS2
Molecular Weight:
259.4743
IUPAC Name:
1-isothiocyanato-11-methylsulfanylundecane
InChI:
InChI=1S/C13H25NS2/c1-16-12-10-8-6-4-2-3-5-7-9-11-14-13-15/h2-12H2,1H3
InChI Key:
XIXZECOAPFKEKC-UHFFFAOYSA-N
SMILES:
CSCCCCCCCCCCCN=C=S
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.143g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.47g/mol
Monoisotopic Mass:
259.143g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
Related Products
© 2019 Angene International Limited. All rights Reserved.