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26036-36-2 | 4-Pyridinecarboxylic acid, 2-[(cyclohexylamino)thioxomethyl]hydrazide
CAS No: 26036-36-2 Catalog No: AG002RGQ MDL No:MFCD00123804
Product Description
Catalog Number:
AG002RGQ
Chemical Name:
4-Pyridinecarboxylic acid, 2-[(cyclohexylamino)thioxomethyl]hydrazide
CAS Number:
26036-36-2
Molecular Formula:
C13H18N4OS
Molecular Weight:
278.3732
MDL Number:
MFCD00123804
IUPAC Name:
1-cyclohexyl-3-(pyridine-4-carbonylamino)thiourea
InChI:
InChI=1S/C13H18N4OS/c18-12(10-6-8-14-9-7-10)16-17-13(19)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,16,18)(H2,15,17,19)
InChI Key:
BZJBTKCHRRSRRW-UHFFFAOYSA-N
SMILES:
S=C(NC1CCCCC1)NNC(=O)c1ccncc1
UNII:
JYQ7PX91NX
NSC Number:
80982
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.12g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
278.374g/mol
Monoisotopic Mass:
278.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Synthesis and anti-Candidal activity of N-(4-aryl/cyclohexyl)-2-(pyridine-4-yl carbonyl) hydrazinecarbothioamide. | Bioorganic & medicinal chemistry letters 20140301 |
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