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203268-78-4 | Benzonitrile, 4-(5-mercapto-1,3,4-oxadiazol-2-yl)-
CAS No: 203268-78-4 Catalog No: AG0028RN MDL No:
Product Description
Catalog Number:
AG0028RN
Chemical Name:
Benzonitrile, 4-(5-mercapto-1,3,4-oxadiazol-2-yl)-
CAS Number:
203268-78-4
Molecular Formula:
C9H5N3OS
Molecular Weight:
203.2205
IUPAC Name:
4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzonitrile
InChI:
InChI=1S/C9H5N3OS/c10-5-6-1-3-7(4-2-6)8-11-12-9(14)13-8/h1-4H,(H,12,14)
InChI Key:
UUVCVQKPGMQDGA-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1nnc(o1)S
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.219g/mol
Monoisotopic Mass:
203.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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