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Home > Quinoline > 478260-35-4
478260-35-4 | 4-ethyl-5-{thieno[2,3-b]quinolin-2-yl}-4H-1,2,4-triazole-3-thiol
CAS No: 478260-35-4 Catalog No: AG00IVWU MDL No:MFCD02571632
Product Description
Catalog Number:
AG00IVWU
Chemical Name:
4-ethyl-5-{thieno[2,3-b]quinolin-2-yl}-4H-1,2,4-triazole-3-thiol
CAS Number:
478260-35-4
Molecular Formula:
C15H12N4S2
Molecular Weight:
312.4126
MDL Number:
MFCD02571632
IUPAC Name:
4-ethyl-3-thieno[2,3-b]quinolin-2-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C15H12N4S2/c1-2-19-13(17-18-15(19)20)12-8-10-7-9-5-3-4-6-11(9)16-14(10)21-12/h3-8H,2H2,1H3,(H,18,20)
InChI Key:
NAZPBCCPSDBJGA-UHFFFAOYSA-N
SMILES:
CCn1c(S)nnc1c1cc2c(s1)nc1c(c2)cccc1
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.05g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.409g/mol
Monoisotopic Mass:
312.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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