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941133-94-4 | 5-(dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole-2-thiol
CAS No: 941133-94-4 Catalog No: AG019KP1 MDL No:MFCD09702179
Product Description
Catalog Number:
AG019KP1
Chemical Name:
5-(dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole-2-thiol
CAS Number:
941133-94-4
Molecular Formula:
C7H7N3OS2
Molecular Weight:
213.2800
MDL Number:
MFCD09702179
IUPAC Name:
5-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C7H7N3OS2/c1-3-5(13-4(2)8-3)6-9-10-7(12)11-6/h1-2H3,(H,10,12)
InChI Key:
PKPQBNRJCZXHIG-UHFFFAOYSA-N
SMILES:
Sc1nnc(o1)c1sc(nc1C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.003g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.273g/mol
Monoisotopic Mass:
213.003g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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