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Urease Inhibitor 07

CAT: 0127-BUP14746Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP14746Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15264-63-8
Purity
=98%
Smiles
S=C1NN=C(O1)C1=CC=NC=C1

Chemical Information

5-(4-Pyridyl)-1,3,4-oxadiazole-2-thiol
CAS Number15264-63-8
PubChem CID774383
IUPAC Name5-pyridin-4-yl-3H-1,3,4-oxadiazole-2-thione
Molecular FormulaC7H5N3OS
Molecular Weight179.20
XLogP1
Topological Polar Surface Area78.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity223
SMILES
C1=CN=CC=C1C2=NNC(=S)O2
InChI
InChI=1S/C7H5N3OS/c12-7-10-9-6(11-7)5-1-3-8-4-2-5/h1-4H,(H,10,12)
InChIKey
TXCXZVFDWQYTIC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(4-Pyridyl)-1,3,4-oxadiazole-2-thiol
CAS: 15264-63-8
CID: 774383
Formula: C7H5N3OS
MW: 179.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight179.20
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass179.01533297
Monoisotopic Mass179.01533297
Topological Polar Surface Area78.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity223
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes