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138373-08-7 | Methanesulfonic acid, 1-[(4-methylphenyl)thio]-, phenyl ester
CAS No: 138373-08-7 Catalog No: AG0018NQ MDL No:
Product Description
Catalog Number:
AG0018NQ
Chemical Name:
Methanesulfonic acid, 1-[(4-methylphenyl)thio]-, phenyl ester
CAS Number:
138373-08-7
Molecular Formula:
C14H14O3S2
Molecular Weight:
294.3892
IUPAC Name:
phenyl (4-methylphenyl)sulfanylmethanesulfonate
InChI:
InChI=1S/C14H14O3S2/c1-12-7-9-14(10-8-12)18-11-19(15,16)17-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChI Key:
CXQVSZWCVGJOPK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)SCS(=O)(=O)Oc1ccccc1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.038g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.383g/mol
Monoisotopic Mass:
294.038g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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