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917965-04-9 | Isothiazolidine, 2-[(1R,2S)-1,2-diphenyl-2-propoxyethyl]-, 1,1-dioxide
CAS No: 917965-04-9 Catalog No: AG006MED MDL No:
Product Description
Catalog Number:
AG006MED
Chemical Name:
Isothiazolidine, 2-[(1R,2S)-1,2-diphenyl-2-propoxyethyl]-, 1,1-dioxide
CAS Number:
917965-04-9
Molecular Formula:
C20H25NO3S
Molecular Weight:
359.4824
IUPAC Name:
2-[(1R,2S)-1,2-diphenyl-2-propoxyethyl]-1,2-thiazolidine 1,1-dioxide
InChI:
InChI=1S/C20H25NO3S/c1-2-15-24-20(18-12-7-4-8-13-18)19(17-10-5-3-6-11-17)21-14-9-16-25(21,22)23/h3-8,10-13,19-20H,2,9,14-16H2,1H3/t19-,20+/m1/s1
InChI Key:
PVKWDSGPPKEORS-UXHICEINSA-N
SMILES:
CCCO[C@H]([C@H](N1CCCS1(=O)=O)c1ccccc1)c1ccccc1
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
359.156g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.484g/mol
Monoisotopic Mass:
359.156g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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