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Home > Imidazoles > 1094261-41-2
1094261-41-2 | 1-(2-METHOXYETHYL)-5-PHENYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE
CAS No: 1094261-41-2 Catalog No: AG01ARIF MDL No:MFCD11182670
Product Description
Catalog Number:
AG01ARIF
Chemical Name:
1-(2-METHOXYETHYL)-5-PHENYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE
CAS Number:
1094261-41-2
Molecular Formula:
C12H14N2OS
Molecular Weight:
234.3174
MDL Number:
MFCD11182670
IUPAC Name:
3-(2-methoxyethyl)-4-phenyl-1H-imidazole-2-thione
InChI:
InChI=1S/C12H14N2OS/c1-15-8-7-14-11(9-13-12(14)16)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,16)
InChI Key:
CIWBQSOXOQEBPO-UHFFFAOYSA-N
SMILES:
COCCn1c(S)ncc1c1ccccc1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.317g/mol
Monoisotopic Mass:
234.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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