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Home > Imidazoles > 852388-84-2
852388-84-2 | 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-imidazole-2-thiol
CAS No: 852388-84-2 Catalog No: AG019O4O MDL No:MFCD06655472
Product Description
Catalog Number:
AG019O4O
Chemical Name:
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-imidazole-2-thiol
CAS Number:
852388-84-2
Molecular Formula:
C13H14N2O2S
Molecular Weight:
262.3275
MDL Number:
MFCD06655472
IUPAC Name:
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-1H-imidazole-2-thione
InChI:
InChI=1S/C13H14N2O2S/c1-2-15-10(8-14-13(15)18)9-3-4-11-12(7-9)17-6-5-16-11/h3-4,7-8H,2,5-6H2,1H3,(H,14,18)
InChI Key:
GDJWDVJIWSZYMB-UHFFFAOYSA-N
SMILES:
CCn1c(S)ncc1c1ccc2c(c1)OCCO2
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.078g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.327g/mol
Monoisotopic Mass:
262.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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