Name: Name:5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol
Brand: Angene
SKU: AG019IHR
Rating: 90 (10 reviews)

5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol

CAS No.:

315677-92-0

Catalog Number:

AG019IHR

Molecular Formula:

C13H13N3S

Molecular Weight:

243.3274

Catalog Number:

AG019IHR

Chemical Name:

5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol

CAS Number:

315677-92-0

Molecular Formula:

C13H13N3S

Molecular Weight:

243.3274

MDL Number:

MFCD04614704

IUPAC Name:

5,7,9-trimethyl-2H-[1,2,4]triazolo[4,3-a]quinoline-1-thione

InChI:

InChI=1S/C13H13N3S/c1-7-4-9(3)12-10(5-7)8(2)6-11-14-15-13(17)16(11)12/h4-6H,1-3H3,(H,15,17)

InChI Key:

ICVNTNDWRJGXMB-UHFFFAOYSA-N

SMILES:

Cc1cc(C)c2c(c1)c(C)cc1n2c(S)nn1

Complexity:

426

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.083g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

243.328g/mol

Monoisotopic Mass:

243.083g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4