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1055196-28-5 | 2-[(2-METHYLBENZYL)THIO]-4,5-DIHYDRO-1H-IMIDAZOLE HYDROCHLORIDE
CAS No: 1055196-28-5 Catalog No: AG01AR1M MDL No:MFCD06480366
Product Description
Catalog Number:
AG01AR1M
Chemical Name:
2-[(2-METHYLBENZYL)THIO]-4,5-DIHYDRO-1H-IMIDAZOLE HYDROCHLORIDE
CAS Number:
1055196-28-5
Molecular Formula:
C11H15ClN2S
Molecular Weight:
242.7682
MDL Number:
MFCD06480366
IUPAC Name:
2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride
InChI:
InChI=1S/C11H14N2S.ClH/c1-9-4-2-3-5-10(9)8-14-11-12-6-7-13-11;/h2-5H,6-8H2,1H3,(H,12,13);1H
InChI Key:
NDVPBSPGVVQJBP-UHFFFAOYSA-N
SMILES:
Cc1ccccc1CSC1=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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