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89523-58-0 | 2-Propanesulfinothioic acid, 2-methyl-, S-(phenylmethyl) ester
CAS No: 89523-58-0 Catalog No: AG003ZSQ MDL No:
Product Description
Catalog Number:
AG003ZSQ
Chemical Name:
2-Propanesulfinothioic acid, 2-methyl-, S-(phenylmethyl) ester
CAS Number:
89523-58-0
Molecular Formula:
C11H16OS2
Molecular Weight:
228.3741
IUPAC Name:
tert-butylsulfinylsulfanylmethylbenzene
InChI:
InChI=1S/C11H16OS2/c1-11(2,3)14(12)13-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChI Key:
ZDUXDXKTWXPQRL-UHFFFAOYSA-N
SMILES:
CC(S(=O)SCc1ccccc1)(C)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.368g/mol
Monoisotopic Mass:
228.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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