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Home > Imidazoles > 1351596-12-7
1351596-12-7 | 2-[(2,5-Dimethylbenzyl)thio]-4,5-dihydro-1H-imidazole hydrochloride
CAS No: 1351596-12-7 Catalog No: AG01AQU1 MDL No:MFCD16661054
Product Description
Catalog Number:
AG01AQU1
Chemical Name:
2-[(2,5-Dimethylbenzyl)thio]-4,5-dihydro-1H-imidazole hydrochloride
CAS Number:
1351596-12-7
Molecular Formula:
C12H17ClN2S
Molecular Weight:
256.7948
MDL Number:
MFCD16661054
IUPAC Name:
2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride
InChI:
InChI=1S/C12H16N2S.ClH/c1-9-3-4-10(2)11(7-9)8-15-12-13-5-6-14-12;/h3-4,7H,5-6,8H2,1-2H3,(H,13,14);1H
InChI Key:
RKGAZUUGJPORRX-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)CSC1=NCCN1)C.Cl
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.792g/mol
Monoisotopic Mass:
256.08g/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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