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89523-57-9 | Methanesulfinothioic acid, S-(phenylmethyl) ester
CAS No: 89523-57-9 Catalog No: AG003ZSR MDL No:
Product Description
Catalog Number:
AG003ZSR
Chemical Name:
Methanesulfinothioic acid, S-(phenylmethyl) ester
CAS Number:
89523-57-9
Molecular Formula:
C8H10OS2
Molecular Weight:
186.2944
IUPAC Name:
methylsulfinylsulfanylmethylbenzene
InChI:
InChI=1S/C8H10OS2/c1-11(9)10-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChI Key:
VEEMTVWSOCOTGK-UHFFFAOYSA-N
SMILES:
CS(=O)SCc1ccccc1
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.017g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.287g/mol
Monoisotopic Mass:
186.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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