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Home > Imidazoles > 478046-09-2
478046-09-2 | methyl 4-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate
CAS No: 478046-09-2 Catalog No: AG00IU2X MDL No:MFCD02186517
Product Description
Catalog Number:
AG00IU2X
Chemical Name:
methyl 4-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate
CAS Number:
478046-09-2
Molecular Formula:
C14H16N2O2S
Molecular Weight:
276.3540
MDL Number:
MFCD02186517
IUPAC Name:
methyl 4-(1-phenylimidazol-2-yl)sulfanylbutanoate
InChI:
InChI=1S/C14H16N2O2S/c1-18-13(17)8-5-11-19-14-15-9-10-16(14)12-6-3-2-4-7-12/h2-4,6-7,9-10H,5,8,11H2,1H3
InChI Key:
OKVDJMWSRNUVBM-UHFFFAOYSA-N
SMILES:
COC(=O)CCCSc1nccn1c1ccccc1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.093g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.354g/mol
Monoisotopic Mass:
276.093g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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