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1105189-06-7 | 1-(2-Methoxyethyl)-5-(4-methylphenyl)-1H-imidazole-2-thiol
CAS No: 1105189-06-7 Catalog No: AG01ARLW MDL No:MFCD11986822
Product Description
Catalog Number:
AG01ARLW
Chemical Name:
1-(2-Methoxyethyl)-5-(4-methylphenyl)-1H-imidazole-2-thiol
CAS Number:
1105189-06-7
Molecular Formula:
C13H16N2OS
Molecular Weight:
248.3439
MDL Number:
MFCD11986822
IUPAC Name:
3-(2-methoxyethyl)-4-(4-methylphenyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C13H16N2OS/c1-10-3-5-11(6-4-10)12-9-14-13(17)15(12)7-8-16-2/h3-6,9H,7-8H2,1-2H3,(H,14,17)
InChI Key:
UPDJCKRWRZDJNI-UHFFFAOYSA-N
SMILES:
COCCn1c(S)ncc1c1ccc(cc1)C
Properties
Complexity:
309
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:
2
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:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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