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Home > Imidazoles > 93530-04-2
93530-04-2 | 1H-Imidazole, 1-methyl-2-[3-(methylthio)propyl]-
CAS No: 93530-04-2 Catalog No: AG006F99 MDL No:
Product Description
Catalog Number:
AG006F99
Chemical Name:
1H-Imidazole, 1-methyl-2-[3-(methylthio)propyl]-
CAS Number:
93530-04-2
Molecular Formula:
C8H14N2S
Molecular Weight:
170.2752
IUPAC Name:
1-methyl-2-(3-methylsulfanylpropyl)imidazole
InChI:
InChI=1S/C8H14N2S/c1-10-6-5-9-8(10)4-3-7-11-2/h5-6H,3-4,7H2,1-2H3
InChI Key:
IYXRGRHLTSUILE-UHFFFAOYSA-N
SMILES:
CSCCCc1nccn1C
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.088g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.274g/mol
Monoisotopic Mass:
170.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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