200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 710279-69-9
710279-69-9 | Benzonitrile,4-[2-[[4-cyclopropyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-1,2,4-triazol-3-yl]thio]acetyl]-
CAS No: 710279-69-9 Catalog No: AG005F4J MDL No:MFCD03055861
Product Description
Catalog Number:
AG005F4J
Chemical Name:
Benzonitrile,4-[2-[[4-cyclopropyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-1,2,4-triazol-3-yl]thio]acetyl]-
CAS Number:
710279-69-9
Molecular Formula:
C17H14N6OS2
Molecular Weight:
382.4627
MDL Number:
MFCD03055861
IUPAC Name:
4-[2-[[4-cyclopropyl-5-(4-methylthiadiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzonitrile
InChI:
InChI=1S/C17H14N6OS2/c1-10-15(26-22-19-10)16-20-21-17(23(16)13-6-7-13)25-9-14(24)12-4-2-11(8-18)3-5-12/h2-5,13H,6-7,9H2,1H3
InChI Key:
HAFWJMVLAFUSMR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)CSc1nnc(n1C1CC1)c1snnc1C
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.067g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.46g/mol
Monoisotopic Mass:
382.067g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.