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100431-21-8 | Benzene, 1,3,5-trimethyl-2-(phenylsulfinyl)-, (R)- (9CI)
CAS No: 100431-21-8 Catalog No: AG0001ZS MDL No:
Product Description
Catalog Number:
AG0001ZS
Chemical Name:
Benzene, 1,3,5-trimethyl-2-(phenylsulfinyl)-, (R)- (9CI)
CAS Number:
100431-21-8
Molecular Formula:
C15H16OS
Molecular Weight:
244.3519
IUPAC Name:
1,3,5-trimethyl-2-[(R)-phenylsulfinyl]benzene
InChI:
InChI=1S/C15H16OS/c1-11-9-12(2)15(13(3)10-11)17(16)14-7-5-4-6-8-14/h4-10H,1-3H3/t17-/m1/s1
InChI Key:
NPTGGTKSCLGSSS-QGZVFWFLSA-N
SMILES:
Cc1cc(C)c(c(c1)C)[S@](=O)c1ccccc1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
244.092g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.352g/mol
Monoisotopic Mass:
244.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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