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Home > Imidazoles > 338422-51-8
338422-51-8 | {1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanyl-1H-imidazol-5-yl}methanol
CAS No: 338422-51-8 Catalog No: AG00IP2H MDL No:MFCD00215155
Product Description
Catalog Number:
AG00IP2H
Chemical Name:
{1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanyl-1H-imidazol-5-yl}methanol
CAS Number:
338422-51-8
Molecular Formula:
C14H18N2O3S
Molecular Weight:
294.3693
MDL Number:
MFCD00215155
IUPAC Name:
3-[2-(3,4-dimethoxyphenyl)ethyl]-4-(hydroxymethyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C14H18N2O3S/c1-18-12-4-3-10(7-13(12)19-2)5-6-16-11(9-17)8-15-14(16)20/h3-4,7-8,17H,5-6,9H2,1-2H3,(H,15,20)
InChI Key:
HJEKSGLMWIKOKN-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)CCn1c(S)ncc1CO
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.104g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.369g/mol
Monoisotopic Mass:
294.104g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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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