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35359-27-4 | 5-METHYL-[1,2,4]TRIAZOLO[4,3-A]QUINOLINE-1-THIOL
CAS No: 35359-27-4 Catalog No: AG00CJUH MDL No:MFCD01124519
Product Description
Catalog Number:
AG00CJUH
Chemical Name:
5-METHYL-[1,2,4]TRIAZOLO[4,3-A]QUINOLINE-1-THIOL
CAS Number:
35359-27-4
Molecular Formula:
C11H9N3S
Molecular Weight:
215.2743
MDL Number:
MFCD01124519
IUPAC Name:
5-methyl-2H-[1,2,4]triazolo[4,3-a]quinoline-1-thione
InChI:
InChI=1S/C11H9N3S/c1-7-6-10-12-13-11(15)14(10)9-5-3-2-4-8(7)9/h2-6H,1H3,(H,13,15)
InChI Key:
VSUPYSJUZGXREB-UHFFFAOYSA-N
SMILES:
Cc1cc2n[nH]c(=S)n2c2c1cccc2
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.274g/mol
Monoisotopic Mass:
215.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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