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144266-26-2 | 1,3-Dithiane, 2-(4-methylphenyl)-, 1,3-dioxide
CAS No: 144266-26-2 Catalog No: AG001J7P MDL No:
Product Description
Catalog Number:
AG001J7P
Chemical Name:
1,3-Dithiane, 2-(4-methylphenyl)-, 1,3-dioxide
CAS Number:
144266-26-2
Molecular Formula:
C11H14O2S2
Molecular Weight:
242.3577
IUPAC Name:
2-(4-methylphenyl)-1,3-dithiane 1,3-dioxide
InChI:
InChI=1S/C11H14O2S2/c1-9-3-5-10(6-4-9)11-14(12)7-2-8-15(11)13/h3-6,11H,2,7-8H2,1H3
InChI Key:
UXTLXNUXLLEXCX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1S(=O)CCCS1=O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.351g/mol
Monoisotopic Mass:
242.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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