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Home > Imidazoles > 161190-55-2
161190-55-2 | 1-Propanol, 3-[(S)-[1-(2-methylphenyl)-1H-imidazol-2-yl]sulfinyl]-
CAS No: 161190-55-2 Catalog No: AG001S92 MDL No:
Product Description
Catalog Number:
AG001S92
Chemical Name:
1-Propanol, 3-[(S)-[1-(2-methylphenyl)-1H-imidazol-2-yl]sulfinyl]-
CAS Number:
161190-55-2
Molecular Formula:
C13H16N2O2S
Molecular Weight:
264.3433
IUPAC Name:
3-[(S)-[1-(2-methylphenyl)imidazol-2-yl]sulfinyl]propan-1-ol
InChI:
InChI=1S/C13H16N2O2S/c1-11-5-2-3-6-12(11)15-8-7-14-13(15)18(17)10-4-9-16/h2-3,5-8,16H,4,9-10H2,1H3/t18-/m0/s1
InChI Key:
XZPGXEMWBSYFKR-SFHVURJKSA-N
SMILES:
OCCC[S@](=O)c1nccn1c1ccccc1C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
264.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.343g/mol
Monoisotopic Mass:
264.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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