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Home > Imidazoles > 1055196-26-3
1055196-26-3 | 2-[(3-Methylbenzyl)thio]-4,5-dihydro-1H-imidazole hydrochloride
CAS No: 1055196-26-3 Catalog No: AG01AR1J MDL No:MFCD06480357
Product Description
Catalog Number:
AG01AR1J
Chemical Name:
2-[(3-Methylbenzyl)thio]-4,5-dihydro-1H-imidazole hydrochloride
CAS Number:
1055196-26-3
Molecular Formula:
C11H15ClN2S
Molecular Weight:
242.7682
MDL Number:
MFCD06480357
IUPAC Name:
2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride
InChI:
InChI=1S/C11H14N2S.ClH/c1-9-3-2-4-10(7-9)8-14-11-12-5-6-13-11;/h2-4,7H,5-6,8H2,1H3,(H,12,13);1H
InChI Key:
KBKNBJPUACQHBY-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)CSC1=NCCN1.Cl
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.765g/mol
Monoisotopic Mass:
242.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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