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835626-68-1 | Benzene, 1-(2-methoxyethyl)-2-[(S)-(4-methylphenyl)sulfinyl]-
CAS No: 835626-68-1 Catalog No: AG004UOI MDL No:
Product Description
Catalog Number:
AG004UOI
Chemical Name:
Benzene, 1-(2-methoxyethyl)-2-[(S)-(4-methylphenyl)sulfinyl]-
CAS Number:
835626-68-1
Molecular Formula:
C16H18O2S
Molecular Weight:
274.3779
IUPAC Name:
1-(2-methoxyethyl)-2-[(S)-(4-methylphenyl)sulfinyl]benzene
InChI:
InChI=1S/C16H18O2S/c1-13-7-9-15(10-8-13)19(17)16-6-4-3-5-14(16)11-12-18-2/h3-10H,11-12H2,1-2H3/t19-/m0/s1
InChI Key:
QUZUOMMMAPKZRO-IBGZPJMESA-N
SMILES:
COCCc1ccccc1[S@@](=O)c1ccc(cc1)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
274.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.378g/mol
Monoisotopic Mass:
274.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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