200,000+ products from a single source!
sales@angenechem.com
88743-55-9 | Propanoic acid, 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-
CAS No: 88743-55-9 Catalog No: AG004COW MDL No:
Product Description
Catalog Number:
AG004COW
Chemical Name:
Propanoic acid, 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-
CAS Number:
88743-55-9
Molecular Formula:
C11H11N3O2S
Molecular Weight:
249.2889
IUPAC Name:
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
InChI:
InChI=1S/C11H11N3O2S/c1-7(10(15)16)17-11-12-9(13-14-11)8-5-3-2-4-6-8/h2-7H,1H3,(H,15,16)(H,12,13,14)
InChI Key:
LOFZFICIEIHKNN-UHFFFAOYSA-N
SMILES:
OC(=O)C(Sc1n[nH]c(n1)c1ccccc1)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.288g/mol
Monoisotopic Mass:
249.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.