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1017048-74-6 | 1,3,4-Oxadiazol-2-amine, 5-(3-methyl-2-thienyl)-
CAS No: 1017048-74-6 Catalog No: AG00059F MDL No:MFCD09937859
Product Description
Catalog Number:
AG00059F
Chemical Name:
1,3,4-Oxadiazol-2-amine, 5-(3-methyl-2-thienyl)-
CAS Number:
1017048-74-6
Molecular Formula:
C7H7N3OS
Molecular Weight:
181.2150
MDL Number:
MFCD09937859
IUPAC Name:
5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-amine
InChI:
InChI=1S/C7H7N3OS/c1-4-2-3-12-5(4)6-9-10-7(8)11-6/h2-3H,1H3,(H2,8,10)
InChI Key:
KIMICPXEHOKXNU-UHFFFAOYSA-N
SMILES:
Nc1nnc(o1)c1sccc1C
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.213g/mol
Monoisotopic Mass:
181.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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