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Home > Pyridines > 1056157-16-4
1056157-16-4 | 4-ethyl-5-(pyridazin-4-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 1056157-16-4 Catalog No: AG01DQXK MDL No:MFCD26929360
Product Description
Catalog Number:
AG01DQXK
Chemical Name:
4-ethyl-5-(pyridazin-4-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
1056157-16-4
Molecular Formula:
C8H9N5S
Molecular Weight:
207.2556
MDL Number:
MFCD26929360
IUPAC Name:
4-ethyl-3-pyridazin-4-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C8H9N5S/c1-2-13-7(11-12-8(13)14)6-3-4-9-10-5-6/h3-5H,2H2,1H3,(H,12,14)
InChI Key:
NXFZWRZTFFJKCQ-UHFFFAOYSA-N
SMILES:
CCn1c(S)nnc1c1ccnnc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.255g/mol
Monoisotopic Mass:
207.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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