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Home > Imidazoles > 1105189-53-4
1105189-53-4 | 1-ALLYL-5-(3-NITROPHENYL)-1H-IMIDAZOLE-2-THIOL
CAS No: 1105189-53-4 Catalog No: AG01AQPK MDL No:MFCD16653090
Product Description
Catalog Number:
AG01AQPK
Chemical Name:
1-ALLYL-5-(3-NITROPHENYL)-1H-IMIDAZOLE-2-THIOL
CAS Number:
1105189-53-4
MDL Number:
MFCD16653090
IUPAC Name:
4-(3-nitrophenyl)-3-prop-2-enyl-1H-imidazole-2-thione
InChI:
InChI=1S/C12H11N3O2S/c1-2-6-14-11(8-13-12(14)18)9-4-3-5-10(7-9)15(16)17/h2-5,7-8H,1,6H2,(H,13,18)
InChI Key:
LZRIKSDKOSDIGZ-UHFFFAOYSA-N
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.299g/mol
Monoisotopic Mass:
261.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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