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Home > Imidazoles > 1105191-55-6
1105191-55-6 | 2-[5-(HYDROXYMETHYL)-2-MERCAPTO-1H-IMIDAZOL-1-YL]-N-ISOPROPYLACETAMIDE
CAS No: 1105191-55-6 Catalog No: AG01AQBD MDL No:MFCD16653110
Product Description
Catalog Number:
AG01AQBD
Chemical Name:
2-[5-(HYDROXYMETHYL)-2-MERCAPTO-1H-IMIDAZOL-1-YL]-N-ISOPROPYLACETAMIDE
CAS Number:
1105191-55-6
MDL Number:
MFCD16653110
IUPAC Name:
2-[4-(hydroxymethyl)-2-sulfanylidene-1H-imidazol-3-yl]-N-propan-2-ylacetamide
InChI:
InChI=1S/C9H15N3O2S/c1-6(2)11-8(14)4-12-7(5-13)3-10-9(12)15/h3,6,13H,4-5H2,1-2H3,(H,10,15)(H,11,14)
InChI Key:
FWURTIKXFIILQE-UHFFFAOYSA-N
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.088g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
229.298g/mol
Monoisotopic Mass:
229.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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