7-phenyl-1,3,6,8,2-dioxadithiastannecane-4,10-dione

C11H12O4S2Sn — CID 20841861

IUPAC7-phenyl-1,3,6,8,2-dioxadithiastannecane-4,10-dione
SMILESO=C1CSC(c2ccccc2)SCC(=O)O[SnH2]O1
InChIInChI=1S/C11H12O4S2.Sn.2H/c12-9(13)6-16-11(17-7-10(14)15)8-4-2-1-3-5-8;;;/h1-5,11H,6-7H2,(H,12,13)(H,14,15);;;/q;+2;;/p-2
InChIKeyZJSHJDUZSRCDHF-UHFFFAOYSA-L
MW391.06 g/mol
LogP1.25
Rot. Bonds1

About 7-phenyl-1,3,6,8,2-dioxadithiastannecane-4,10-dione

7-phenyl-1,3,6,8,2-dioxadithiastannecane-4,10-dione (PubChem CID 20841861) has the molecular formula C11H12O4S2Sn and a molecular weight of 391.06 g/mol. Its IUPAC name is 7-phenyl-1,3,6,8,2-dioxadithiastannecane-4,10-dione.

Molecular Properties

Compound Name7-phenyl-1,3,6,8,2-dioxadithiastannecane-4,10-dione
PubChem CID20841861
Molecular FormulaC11H12O4S2Sn
Molecular Weight391.06 g/mol
Exact Mass391.92
IUPAC Name7-phenyl-1,3,6,8,2-dioxadithiastannecane-4,10-dione
SMILESO=C1CSC(c2ccccc2)SCC(=O)O[SnH2]O1
InChIInChI=1S/C11H12O4S2.Sn.2H/c12-9(13)6-16-11(17-7-10(14)15)8-4-2-1-3-5-8;;;/h1-5,11H,6-7H2,(H,12,13)(H,14,15);;;/q;+2;;/p-2
InChIKeyZJSHJDUZSRCDHF-UHFFFAOYSA-L
XLogP1.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.06
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-1,3,6,8,2-dioxadithiastannecane-4,10-dione?
The IUPAC name of 7-phenyl-1,3,6,8,2-dioxadithiastannecane-4,10-dione (CID 20841861) is 7-phenyl-1,3,6,8,2-dioxadithiastannecane-4,10-dione.
What is the SMILES notation for 7-phenyl-1,3,6,8,2-dioxadithiastannecane-4,10-dione?
The canonical SMILES for 7-phenyl-1,3,6,8,2-dioxadithiastannecane-4,10-dione is O=C1CSC(c2ccccc2)SCC(=O)O[SnH2]O1.
What is the InChIKey of 7-phenyl-1,3,6,8,2-dioxadithiastannecane-4,10-dione?
The InChIKey is ZJSHJDUZSRCDHF-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H12O4S2.Sn.2H/c12-9(13)6-16-11(17-7-10(14)15)8-4-2-1-3-5-8;;;/h1-5,11H,6-7H2,(H,12,13)(H,14,15);;;/q;+2;;/p-2.
What are the key properties of 7-phenyl-1,3,6,8,2-dioxadithiastannecane-4,10-dione?
7-phenyl-1,3,6,8,2-dioxadithiastannecane-4,10-dione has a molecular weight of 391.06 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1,3,6,8,2-dioxadithiastannecane-4,10-dione is sourced from PubChem (CID 20841861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).