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28519-31-5 | Benzenesulfonothioic acid, 4-methyl-, S-butyl ester
CAS No: 28519-31-5 Catalog No: AG002VLM MDL No:
Product Description
Catalog Number:
AG002VLM
Chemical Name:
Benzenesulfonothioic acid, 4-methyl-, S-butyl ester
CAS Number:
28519-31-5
Molecular Formula:
C11H16O2S2
Molecular Weight:
244.3735
IUPAC Name:
butan-2-yloxy-(4-methylphenyl)-oxo-sulfanylidene-λ6-sulfane
InChI:
InChI=1S/C11H16O2S2/c1-4-10(3)13-15(12,14)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3
InChI Key:
SWSLFIWCSJJESK-UHFFFAOYSA-N
SMILES:
CCCCSS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.367g/mol
Monoisotopic Mass:
244.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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