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Home > Pyridines > 1105196-08-4
1105196-08-4 | 5-(1-Ethyl-2-methylene-1,2-dihydropyridin-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
CAS No: 1105196-08-4 Catalog No: AG01FN3Y MDL No:MFCD18459041
Product Description
Catalog Number:
AG01FN3Y
Chemical Name:
5-(1-Ethyl-2-methylene-1,2-dihydropyridin-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
CAS Number:
1105196-08-4
Molecular Formula:
C10H12N4OS
Molecular Weight:
236.2935
MDL Number:
MFCD18459041
IUPAC Name:
1-ethyl-3-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one
InChI:
InChI=1S/C10H12N4OS/c1-3-14-6-4-5-7(9(14)15)8-11-12-10(16)13(8)2/h4-6H,3H2,1-2H3,(H,12,16)
InChI Key:
KRZVUAZHIAKRFL-UHFFFAOYSA-N
SMILES:
CCn1cccc(c1=O)c1nnc(n1C)S
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.073g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.293g/mol
Monoisotopic Mass:
236.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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