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Home > Imidazoles > 321686-81-1
321686-81-1 | ethyl 4-(1H-benzo[d]imidazol-2-ylsulfanyl)-3-oxobutanoate
CAS No: 321686-81-1 Catalog No: AG00J5V9 MDL No:MFCD00526257
Product Description
Catalog Number:
AG00J5V9
Chemical Name:
ethyl 4-(1H-benzo[d]imidazol-2-ylsulfanyl)-3-oxobutanoate
CAS Number:
321686-81-1
Molecular Formula:
C13H14N2O3S
Molecular Weight:
278.3269
MDL Number:
MFCD00526257
IUPAC Name:
ethyl 4-(1H-benzimidazol-2-ylsulfanyl)-3-oxobutanoate
InChI:
InChI=1S/C13H14N2O3S/c1-2-18-12(17)7-9(16)8-19-13-14-10-5-3-4-6-11(10)15-13/h3-6H,2,7-8H2,1H3,(H,14,15)
InChI Key:
DJLNCEHJTPBQKI-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)CSc1nc2c([nH]1)cccc2
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.073g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.326g/mol
Monoisotopic Mass:
278.073g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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