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13239-11-7

13239-11-7 | 1,3,4-Oxadiazole-2(3H)-thione, 5-(2-furanyl)-

CAS No: 13239-11-7 Catalog No: AG0010N3 MDL No:MFCD00992516

Product Description

Catalog Number:
AG0010N3
Chemical Name:
1,3,4-Oxadiazole-2(3H)-thione, 5-(2-furanyl)-
CAS Number:
13239-11-7
Molecular Formula:
C6H4N2O2S
Molecular Weight:
168.1732
MDL Number:
MFCD00992516
IUPAC Name:
5-(furan-2-yl)-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C6H4N2O2S/c11-6-8-7-5(10-6)4-2-1-3-9-4/h1-3H,(H,8,11)
InChI Key:
UUBKWODOINKONV-UHFFFAOYSA-N
SMILES:
S=c1[nH]nc(o1)c1ccco1

Properties

Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.999g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.17g/mol
Monoisotopic Mass:
167.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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