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Home > Imidazoles > 89823-00-7
89823-00-7 | 1H-Imidazolium, 1-[(butylthio)methyl]-2,3-dimethyl-, chloride
CAS No: 89823-00-7 Catalog No: AG003Z2S MDL No:
Product Description
Catalog Number:
AG003Z2S
Chemical Name:
1H-Imidazolium, 1-[(butylthio)methyl]-2,3-dimethyl-, chloride
CAS Number:
89823-00-7
Molecular Formula:
C10H21ClN2S
Molecular Weight:
236.8051
IUPAC Name:
1-(butylsulfanylmethyl)-2,3-dimethyl-1,2-dihydroimidazol-1-ium;chloride
InChI:
InChI=1S/C10H20N2S.ClH/c1-4-5-8-13-9-12-7-6-11(3)10(12)2;/h6-7,10H,4-5,8-9H2,1-3H3;1H
InChI Key:
AEMWYNZOBSSBQH-UHFFFAOYSA-N
SMILES:
CCCCSC[NH+]1C=CN(C1C)C.[Cl-]
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.802g/mol
Monoisotopic Mass:
236.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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