200,000+ products from a single source!
sales@angenechem.com
13096-17-8 | 3-Pyridinecarboxamide, 4-[(2-chloroethyl)thio]-
CAS No: 13096-17-8 Catalog No: AG000V6L MDL No:
Product Description
Catalog Number:
AG000V6L
Chemical Name:
3-Pyridinecarboxamide, 4-[(2-chloroethyl)thio]-
CAS Number:
13096-17-8
Molecular Formula:
C8H9ClN2OS
Molecular Weight:
216.6879
IUPAC Name:
4-(2-chloroethylsulfanyl)pyridine-3-carboxamide
InChI:
InChI=1S/C8H9ClN2OS/c9-2-4-13-7-1-3-11-5-6(7)8(10)12/h1,3,5H,2,4H2,(H2,10,12)
InChI Key:
XFGRHZNYHVXJJG-UHFFFAOYSA-N
SMILES:
ClCCSc1ccncc1C(=O)N
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.012g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.683g/mol
Monoisotopic Mass:
216.012g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.