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23152-97-8 | 1,2,4-Oxadiazole-5(2H)-thione, 3-phenyl-
CAS No: 23152-97-8 Catalog No: AG002MDW MDL No:MFCD00192392
Product Description
Catalog Number:
AG002MDW
Chemical Name:
1,2,4-Oxadiazole-5(2H)-thione, 3-phenyl-
CAS Number:
23152-97-8
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
MDL Number:
MFCD00192392
IUPAC Name:
3-phenyl-2H-1,2,4-oxadiazole-5-thione
InChI:
InChI=1S/C8H6N2OS/c12-8-9-7(10-11-8)6-4-2-1-3-5-6/h1-5H,(H,9,10,12)
InChI Key:
KLUJJBZDBBYZEJ-UHFFFAOYSA-N
SMILES:
S=c1o[nH]c(n1)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:
178.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.209g/mol
Monoisotopic Mass:
178.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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