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Home > Imidazoles > 74461-53-3
74461-53-3 | 4-(benzylsulfanylmethyl)-5-methyl-1H-imidazole hydrochloride
CAS No: 74461-53-3 Catalog No: AG005BFN MDL No:
Product Description
Catalog Number:
AG005BFN
Chemical Name:
4-(benzylsulfanylmethyl)-5-methyl-1H-imidazole hydrochloride
CAS Number:
74461-53-3
Molecular Formula:
C12H15ClN2S
Molecular Weight:
254.7789
IUPAC Name:
4-(benzylsulfanylmethyl)-5-methyl-1H-imidazole;hydrochloride
InChI:
InChI=1S/C12H14N2S.ClH/c1-10-12(14-9-13-10)8-15-7-11-5-3-2-4-6-11;/h2-6,9H,7-8H2,1H3,(H,13,14);1H
InChI Key:
QPYAFBODSHQDLY-UHFFFAOYSA-N
SMILES:
Cc1[nH]cnc1CSCc1ccccc1.Cl
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.776g/mol
Monoisotopic Mass:
254.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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