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519150-20-0 | 3H-1,2,4-Triazole-3-thione,4-(3-ethoxypropyl)-2,4-dihydro-5-(4-pyridinyl)-
CAS No: 519150-20-0 Catalog No: AG019HGQ MDL No:MFCD03479129
Product Description
Catalog Number:
AG019HGQ
Chemical Name:
3H-1,2,4-Triazole-3-thione,4-(3-ethoxypropyl)-2,4-dihydro-5-(4-pyridinyl)-
CAS Number:
519150-20-0
Molecular Formula:
C12H16N4OS
Molecular Weight:
264.3466
MDL Number:
MFCD03479129
IUPAC Name:
4-(3-ethoxypropyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C12H16N4OS/c1-2-17-9-3-8-16-11(14-15-12(16)18)10-4-6-13-7-5-10/h4-7H,2-3,8-9H2,1H3,(H,15,18)
InChI Key:
HSNHBILUSMRQPG-UHFFFAOYSA-N
SMILES:
CCOCCCn1c(S)nnc1c1ccncc1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.104g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.347g/mol
Monoisotopic Mass:
264.104g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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