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25976-51-6 | Benzenesulfonamide, 4-(4-cyclohexyl-4,5-dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)-
CAS No: 25976-51-6 Catalog No: AG01F3WF MDL No:
Product Description
Catalog Number:
AG01F3WF
Chemical Name:
Benzenesulfonamide, 4-(4-cyclohexyl-4,5-dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)-
CAS Number:
25976-51-6
Molecular Formula:
C14H18N4O2S2
Molecular Weight:
338.4483
IUPAC Name:
4-(4-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)benzenesulfonamide
InChI:
InChI=1S/C14H18N4O2S2/c15-22(19,20)12-8-6-10(7-9-12)13-16-17-14(21)18(13)11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,17,21)(H2,15,19,20)
InChI Key:
JNHQULFBVUGSBG-UHFFFAOYSA-N
SMILES:
S=c1[nH]nc(n1C1CCCCC1)c1ccc(cc1)S(=O)(=O)N
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.087g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.444g/mol
Monoisotopic Mass:
338.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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