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Home > Imidazoles > 338414-91-8
338414-91-8 | (1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-1H-imidazol-5-yl)methanol
CAS No: 338414-91-8 Catalog No: AG00IOP1 MDL No:MFCD01568344
Product Description
Catalog Number:
AG00IOP1
Chemical Name:
(1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-1H-imidazol-5-yl)methanol
CAS Number:
338414-91-8
Molecular Formula:
C13H16N2OS
Molecular Weight:
248.3439
MDL Number:
MFCD01568344
IUPAC Name:
[3-methyl-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol
InChI:
InChI=1S/C13H16N2OS/c1-10-4-3-5-11(6-10)9-17-13-14-7-12(8-16)15(13)2/h3-7,16H,8-9H2,1-2H3
InChI Key:
ZVKPVLPMNKSKGZ-UHFFFAOYSA-N
SMILES:
OCc1cnc(n1C)SCc1cccc(c1)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.344g/mol
Monoisotopic Mass:
248.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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