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Home > Imidazoles > 161190-54-1
161190-54-1 | 1-Propanol, 3-[[1-(2-methylphenyl)-1H-imidazol-2-yl]thio]-
CAS No: 161190-54-1 Catalog No: AG001S93 MDL No:
Product Description
Catalog Number:
AG001S93
Chemical Name:
1-Propanol, 3-[[1-(2-methylphenyl)-1H-imidazol-2-yl]thio]-
CAS Number:
161190-54-1
Molecular Formula:
C13H16N2OS
Molecular Weight:
248.3439
IUPAC Name:
3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropan-1-ol
InChI:
InChI=1S/C13H16N2OS/c1-11-5-2-3-6-12(11)15-8-7-14-13(15)17-10-4-9-16/h2-3,5-8,16H,4,9-10H2,1H3
InChI Key:
FAIJUROLQXGYLN-UHFFFAOYSA-N
SMILES:
OCCCSc1nccn1c1ccccc1C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.344g/mol
Monoisotopic Mass:
248.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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