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144396-10-1 | Ethanol, 2-[[2-(4-methyl-1H-imidazol-1-yl)ethyl]thio]-
CAS No: 144396-10-1 Catalog No: AG001JFJ MDL No:
Product Description
Catalog Number:
AG001JFJ
Chemical Name:
Ethanol, 2-[[2-(4-methyl-1H-imidazol-1-yl)ethyl]thio]-
CAS Number:
144396-10-1
Molecular Formula:
C8H14N2OS
Molecular Weight:
186.2746
IUPAC Name:
2-[2-(4-methylimidazol-1-yl)ethylsulfanyl]ethanol
InChI:
InChI=1S/C8H14N2OS/c1-8-6-10(7-9-8)2-4-12-5-3-11/h6-7,11H,2-5H2,1H3
InChI Key:
YCENIKZLLNWMKJ-UHFFFAOYSA-N
SMILES:
OCCSCCn1cnc(c1)C
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.083g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.273g/mol
Monoisotopic Mass:
186.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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