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1858251-43-0 | 4-(4-Isopropylphenyl)-5-tetrahydro-2H-pyran-4-yl-4H-1,2,4-triazole-3-thiol
CAS No: 1858251-43-0 Catalog No: AG01FGVN MDL No:
Product Description
Catalog Number:
AG01FGVN
Chemical Name:
4-(4-Isopropylphenyl)-5-tetrahydro-2H-pyran-4-yl-4H-1,2,4-triazole-3-thiol
CAS Number:
1858251-43-0
IUPAC Name:
3-(oxan-4-yl)-4-(4-propan-2-ylphenyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C16H21N3OS/c1-11(2)12-3-5-14(6-4-12)19-15(17-18-16(19)21)13-7-9-20-10-8-13/h3-6,11,13H,7-10H2,1-2H3,(H,18,21)
InChI Key:
YCIJOMNTRSIOQU-UHFFFAOYSA-N
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.141g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.424g/mol
Monoisotopic Mass:
303.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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