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938156-72-0 | 2-[(2,4-Dichlorobenzyl)thio]-4,5-dihydro-1H-imidazole hydrochloride
CAS No: 938156-72-0 Catalog No: AG01FM2E MDL No:MFCD06480362
Product Description
Catalog Number:
AG01FM2E
Chemical Name:
2-[(2,4-Dichlorobenzyl)thio]-4,5-dihydro-1H-imidazole hydrochloride
CAS Number:
938156-72-0
Molecular Formula:
C10H11Cl3N2S
Molecular Weight:
297.6317
MDL Number:
MFCD06480362
IUPAC Name:
2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride
InChI:
InChI=1S/C10H10Cl2N2S.ClH/c11-8-2-1-7(9(12)5-8)6-15-10-13-3-4-14-10;/h1-2,5H,3-4,6H2,(H,13,14);1H
InChI Key:
RGQBQUASBOMYTQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)CSC1=NCCN1.Cl
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.971g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.622g/mol
Monoisotopic Mass:
295.971g/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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