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10099-01-1 | Thietane, 3,3-bis(2-methylpropoxy)-2-phenyl-, 1,1-dioxide
CAS No: 10099-01-1 Catalog No: AG0003DW MDL No:
Product Description
Catalog Number:
AG0003DW
Chemical Name:
Thietane, 3,3-bis(2-methylpropoxy)-2-phenyl-, 1,1-dioxide
CAS Number:
10099-01-1
Molecular Formula:
C17H26O4S
Molecular Weight:
326.4509
IUPAC Name:
3,3-bis(2-methylpropoxy)-2-phenylthietane 1,1-dioxide
InChI:
InChI=1S/C17H26O4S/c1-13(2)10-20-17(21-11-14(3)4)12-22(18,19)16(17)15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3
InChI Key:
RUKLZUYIFIEBPS-UHFFFAOYSA-N
SMILES:
CC(COC1(OCC(C)C)CS(=O)(=O)C1c1ccccc1)C
NSC Number:
77415
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.155g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.451g/mol
Monoisotopic Mass:
326.155g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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