(1,1-Dioxidotetrahydrothiopyran-4-yl)methyl 4-Methylbenzenesulfonate - CAS 928149-12-6
Catalog: |
BB040654 |
Product Name: |
(1,1-Dioxidotetrahydrothiopyran-4-yl)methyl 4-Methylbenzenesulfonate |
CAS: |
928149-12-6 |
Synonyms: |
4-methylbenzenesulfonic acid (1,1-dioxo-4-thianyl)methyl ester; (1,1-dioxothian-4-yl)methyl 4-methylbenzenesulfonate |
IUPAC Name: | (1,1-dioxothian-4-yl)methyl 4-methylbenzenesulfonate |
Description: | (1,1-Dioxidotetrahydrothiopyran-4-yl)methyl 4-Methylbenzenesulfonate (CAS# 928149-12-6 ) is a useful research chemical. |
Molecular Weight: | 318.41 |
Molecular Formula: | C13H18O5S2 |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)OCC2CCS(=O)(=O)CC2 |
InChI: | InChI=1S/C13H18O5S2/c1-11-2-4-13(5-3-11)20(16,17)18-10-12-6-8-19(14,15)9-7-12/h2-5,12H,6-10H2,1H3 |
InChI Key: | GXGVEFJXZNTKAU-UHFFFAOYSA-N |
LogP: | 3.68670 |
Publication Number | Title | Priority Date |
WO-2021062089-A1 | Xanthine cb1 inhibitors | 20190925 |
US-10195178-B2 | GPR40 agonists in anti-diabetic drug combinations | 20160411 |
US-2017290800-A1 | Gpr40 agonists in anti-diabetic drug combinations | 20160411 |
WO-2017180457-A1 | Gpr40 agonists in anti-diabetic drug combinations | 20160411 |
EP-3204361-A1 | Substituted benzothiophenyl derivatives as gpr40 agonists for the treatment of type ii diabetes | 20141008 |
Complexity: | 490 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 318.05956602 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 318.05956602 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 94.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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