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115903-57-6 | 1,3,4-Oxadiazole-2(3H)-thione, 5-(5-chloro-2-thienyl)-
CAS No: 115903-57-6 Catalog No: AG000H2U MDL No:MFCD09743159
Product Description
Catalog Number:
AG000H2U
Chemical Name:
1,3,4-Oxadiazole-2(3H)-thione, 5-(5-chloro-2-thienyl)-
CAS Number:
115903-57-6
Molecular Formula:
C6H3ClN2OS2
Molecular Weight:
218.6838
MDL Number:
MFCD09743159
IUPAC Name:
5-(5-chlorothiophen-2-yl)-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C6H3ClN2OS2/c7-4-2-1-3(12-4)5-8-9-6(11)10-5/h1-2H,(H,9,11)
InChI Key:
WWBZXJCBUXONMV-UHFFFAOYSA-N
SMILES:
Clc1ccc(s1)c1n[nH]c(=S)o1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.938g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.673g/mol
Monoisotopic Mass:
217.938g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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