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Home Other Building Blocks 5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazole-2-thiol

5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazole-2-thiol

CAS No.:
852933-13-2
Catalog Number:
AG019O6V
Molecular Formula:
C5H5N5OS
Molecular Weight:
183.1911
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Product Description
Catalog Number:
AG019O6V
Chemical Name:
5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazole-2-thiol
CAS Number:
852933-13-2
Molecular Formula:
C5H5N5OS
Molecular Weight:
183.1911
MDL Number:
MFCD06655585
IUPAC Name:
5-(1,2,4-triazol-1-ylmethyl)-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C5H5N5OS/c12-5-9-8-4(11-5)1-10-3-6-2-7-10/h2-3H,1H2,(H,9,12)
InChI Key:
WHXLVGJNCGPENA-UHFFFAOYSA-N
SMILES:
Sc1nnc(o1)Cn1cncn1
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.021g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.189g/mol
Monoisotopic Mass:
183.021g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties