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Home > Imidazoles > 95460-09-6
95460-09-6 | 1-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-imidazole-2-thione
CAS No: 95460-09-6 Catalog No: AG01AFVR MDL No:MFCD10689830
Product Description
Catalog Number:
AG01AFVR
Chemical Name:
1-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-imidazole-2-thione
CAS Number:
95460-09-6
Molecular Formula:
C11H12N2OS
Molecular Weight:
220.2908
MDL Number:
MFCD10689830
IUPAC Name:
3-[(4-methoxyphenyl)methyl]-1H-imidazole-2-thione
InChI:
InChI=1S/C11H12N2OS/c1-14-10-4-2-9(3-5-10)8-13-7-6-12-11(13)15/h2-7H,8H2,1H3,(H,12,15)
InChI Key:
MKYOHTKSEDVAKU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1cc[nH]c1=S
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.29g/mol
Monoisotopic Mass:
220.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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