200,000+ products from a single source!
sales@angenechem.com
73511-58-7 | 4-Phenyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazole-3-thiol
CAS No: 73511-58-7 Catalog No: AG00JABB MDL No:MFCD02018978
Product Description
Catalog Number:
AG00JABB
Chemical Name:
4-Phenyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazole-3-thiol
CAS Number:
73511-58-7
Molecular Formula:
C18H14N4OS
Molecular Weight:
334.3950
MDL Number:
MFCD02018978
IUPAC Name:
4-phenyl-3-(quinolin-8-yloxymethyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C18H14N4OS/c24-18-21-20-16(22(18)14-8-2-1-3-9-14)12-23-15-10-4-6-13-7-5-11-19-17(13)15/h1-11H,12H2,(H,21,24)
InChI Key:
QMYBSZIDEOAKQS-UHFFFAOYSA-N
SMILES:
Sc1nnc(n1c1ccccc1)COc1cccc2c1nccc2
NSC Number:
345722
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.089g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.397g/mol
Monoisotopic Mass:
334.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.