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Home > Imidazoles > 343376-28-3
343376-28-3 | 6-[(4-methylphenyl)sulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole
CAS No: 343376-28-3 Catalog No: AG00IRP1 MDL No:MFCD00138970
Product Description
Catalog Number:
AG00IRP1
Chemical Name:
6-[(4-methylphenyl)sulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole
CAS Number:
343376-28-3
Molecular Formula:
C12H9N3O2S2
Molecular Weight:
291.3488
MDL Number:
MFCD00138970
IUPAC Name:
6-(4-methylphenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
InChI:
InChI=1S/C12H9N3O2S2/c1-8-2-4-9(5-3-8)19-10-11(15(16)17)14-6-7-18-12(14)13-10/h2-7H,1H3
InChI Key:
IXFDICCHPXKQQA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Sc1nc2n(c1[N+](=O)[O-])ccs2
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.014g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.343g/mol
Monoisotopic Mass:
291.014g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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