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70891-44-0 | 1-[2-naphthalen-2-yl-2,2-bis(propylsulfanyl)ethyl]imidazole hydrochloride
CAS No: 70891-44-0 Catalog No: AG005QAV MDL No:
Product Description
Catalog Number:
AG005QAV
Chemical Name:
1-[2-naphthalen-2-yl-2,2-bis(propylsulfanyl)ethyl]imidazole hydrochloride
CAS Number:
70891-44-0
Molecular Formula:
C21H27ClN2S2
Molecular Weight:
407.0355
IUPAC Name:
1-[2-naphthalen-2-yl-2,2-bis(propylsulfanyl)ethyl]imidazole;hydrochloride
InChI:
InChI=1S/C21H26N2S2.ClH/c1-3-13-24-21(25-14-4-2,16-23-12-11-22-17-23)20-10-9-18-7-5-6-8-19(18)15-20;/h5-12,15,17H,3-4,13-14,16H2,1-2H3;1H
InChI Key:
XWYNEIQGFUUBDZ-UHFFFAOYSA-N
SMILES:
CCCSC(c1ccc2c(c1)cccc2)(Cn1cncc1)SCCC.Cl
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.13g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
407.031g/mol
Monoisotopic Mass:
406.13g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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