Home Halogens 1,3,4-Oxadiazole-2(3H)-thione, 5-(3-chlorobenzo[b]thien-2-yl)-

1,3,4-Oxadiazole-2(3H)-thione, 5-(3-chlorobenzo[b]thien-2-yl)-

CAS No.:
144605-30-1
Catalog Number:
AG00HX6G
Molecular Formula:
C10H5ClN2OS2
Molecular Weight:
268.7425
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Product Description
Catalog Number:
AG00HX6G
Chemical Name:
1,3,4-Oxadiazole-2(3H)-thione, 5-(3-chlorobenzo[b]thien-2-yl)-
CAS Number:
144605-30-1
Molecular Formula:
C10H5ClN2OS2
Molecular Weight:
268.7425
MDL Number:
MFCD03964652
IUPAC Name:
5-(3-chloro-1-benzothiophen-2-yl)-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C10H5ClN2OS2/c11-7-5-3-1-2-4-6(5)16-8(7)9-12-13-10(15)14-9/h1-4H,(H,13,15)
InChI Key:
MXBSTXKKPYUUAP-UHFFFAOYSA-N
SMILES:
Sc1nnc(o1)c1sc2c(c1Cl)cccc2
Properties
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.953g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.733g/mol
Monoisotopic Mass:
267.953g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties