Home Other Building Blocks 5-(3-phenylpropyl)-1,3,4-oxadiazole-2-thiol

5-(3-phenylpropyl)-1,3,4-oxadiazole-2-thiol

CAS No.:
1119505-40-6
Catalog Number:
AG01AADA
Molecular Formula:
C11H12N2OS
Molecular Weight:
220.2908
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Product Description
Catalog Number:
AG01AADA
Chemical Name:
5-(3-phenylpropyl)-1,3,4-oxadiazole-2-thiol
CAS Number:
1119505-40-6
Molecular Formula:
C11H12N2OS
Molecular Weight:
220.2908
MDL Number:
MFCD10695393
IUPAC Name:
5-(3-phenylpropyl)-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C11H12N2OS/c15-11-13-12-10(14-11)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,15)
InChI Key:
VGBARPYEHOZJAD-UHFFFAOYSA-N
SMILES:
Sc1nnc(o1)CCCc1ccccc1
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.067g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.29g/mol
Monoisotopic Mass:
220.067g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties