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173589-87-2 | 1,3,4-Oxadiazole-2(3H)-thione, 5-cyclohexyl-
CAS No: 173589-87-2 Catalog No: AG001Z1B MDL No:MFCD06655106
Product Description
Catalog Number:
AG001Z1B
Chemical Name:
1,3,4-Oxadiazole-2(3H)-thione, 5-cyclohexyl-
CAS Number:
173589-87-2
Molecular Formula:
C8H12N2OS
Molecular Weight:
184.2587
MDL Number:
MFCD06655106
IUPAC Name:
5-cyclohexyl-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C8H12N2OS/c12-8-10-9-7(11-8)6-4-2-1-3-5-6/h6H,1-5H2,(H,10,12)
InChI Key:
ONBUSMDUKULCRC-UHFFFAOYSA-N
SMILES:
S=c1[nH]nc(o1)C1CCCCC1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.067g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.257g/mol
Monoisotopic Mass:
184.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| New potent inhibitors of tyrosinase: novel clues to binding of 1,3,4-thiadiazole-2(3H)-thiones, 1,3,4-oxadiazole-2(3H)-thiones, 4-amino-1,2,4-triazole-5(4H)-thiones, and substituted hydrazides to the dicopper active site. | Bioorganic & medicinal chemistry 20100601 |
| 1,3,4-Oxadiazole-2(3H)-thione and its analogues: a new class of non-competitive nucleotide pyrophosphatases/phosphodiesterases 1 inhibitors. | Bioorganic & medicinal chemistry 20091115 |
| Synthesis of GABAA receptor agonists and evaluation of their alpha-subunit selectivity and orientation in the GABA binding site. | Journal of medicinal chemistry 20080814 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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