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Home > Imidazoles > 86051-78-7
86051-78-7 | 1H-Imidazole, 1-methyl-2-[(methylthio)methyl]-
CAS No: 86051-78-7 Catalog No: AG004PF1 MDL No:
Product Description
Catalog Number:
AG004PF1
Chemical Name:
1H-Imidazole, 1-methyl-2-[(methylthio)methyl]-
CAS Number:
86051-78-7
Molecular Formula:
C6H10N2S
Molecular Weight:
142.2220
IUPAC Name:
1-methyl-2-(methylsulfanylmethyl)imidazole
InChI:
InChI=1S/C6H10N2S/c1-8-4-3-7-6(8)5-9-2/h3-4H,5H2,1-2H3
InChI Key:
ALKUAOHBBKTMKP-UHFFFAOYSA-N
SMILES:
CSCc1nccn1C
Properties
Complexity:
87.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.056g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.22g/mol
Monoisotopic Mass:
142.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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