2-[4-methyl-2-[(2-methyl-1,4-dithiocan-5-yl)methyl]-1,3-dithiolan-2-yl]-1,3-dioxolane

C15H26O2S4 — CID 23341473

IUPAC2-[4-methyl-2-[(2-methyl-1,4-dithiocan-5-yl)methyl]-1,3-dithiolan-2-yl]-1,3-dioxolane
SMILESCC1CSC(CC2(C3OCCO3)SCC(C)S2)CCCS1
InChIInChI=1S/C15H26O2S4/c1-11-9-19-13(4-3-7-18-11)8-15(14-16-5-6-17-14)20-10-12(2)21-15/h11-14H,3-10H2,1-2H3
InChIKeyZTABXVSDJURQGN-UHFFFAOYSA-N
MW366.64 g/mol
LogP4.33
Rot. Bonds3

About 2-[4-methyl-2-[(2-methyl-1,4-dithiocan-5-yl)methyl]-1,3-dithiolan-2-yl]-1,3-dioxolane

2-[4-methyl-2-[(2-methyl-1,4-dithiocan-5-yl)methyl]-1,3-dithiolan-2-yl]-1,3-dioxolane (PubChem CID 23341473) has the molecular formula C15H26O2S4 and a molecular weight of 366.64 g/mol. Its IUPAC name is 2-[4-methyl-2-[(2-methyl-1,4-dithiocan-5-yl)methyl]-1,3-dithiolan-2-yl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[4-methyl-2-[(2-methyl-1,4-dithiocan-5-yl)methyl]-1,3-dithiolan-2-yl]-1,3-dioxolane
PubChem CID23341473
Molecular FormulaC15H26O2S4
Molecular Weight366.64 g/mol
Exact Mass366.08
IUPAC Name2-[4-methyl-2-[(2-methyl-1,4-dithiocan-5-yl)methyl]-1,3-dithiolan-2-yl]-1,3-dioxolane
SMILESCC1CSC(CC2(C3OCCO3)SCC(C)S2)CCCS1
InChIInChI=1S/C15H26O2S4/c1-11-9-19-13(4-3-7-18-11)8-15(14-16-5-6-17-14)20-10-12(2)21-15/h11-14H,3-10H2,1-2H3
InChIKeyZTABXVSDJURQGN-UHFFFAOYSA-N
XLogP4.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.64
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-[(2-methyl-1,4-dithiocan-5-yl)methyl]-1,3-dithiolan-2-yl]-1,3-dioxolane?
The IUPAC name of 2-[4-methyl-2-[(2-methyl-1,4-dithiocan-5-yl)methyl]-1,3-dithiolan-2-yl]-1,3-dioxolane (CID 23341473) is 2-[4-methyl-2-[(2-methyl-1,4-dithiocan-5-yl)methyl]-1,3-dithiolan-2-yl]-1,3-dioxolane.
What is the SMILES notation for 2-[4-methyl-2-[(2-methyl-1,4-dithiocan-5-yl)methyl]-1,3-dithiolan-2-yl]-1,3-dioxolane?
The canonical SMILES for 2-[4-methyl-2-[(2-methyl-1,4-dithiocan-5-yl)methyl]-1,3-dithiolan-2-yl]-1,3-dioxolane is CC1CSC(CC2(C3OCCO3)SCC(C)S2)CCCS1.
What is the InChIKey of 2-[4-methyl-2-[(2-methyl-1,4-dithiocan-5-yl)methyl]-1,3-dithiolan-2-yl]-1,3-dioxolane?
The InChIKey is ZTABXVSDJURQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2S4/c1-11-9-19-13(4-3-7-18-11)8-15(14-16-5-6-17-14)20-10-12(2)21-15/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-[4-methyl-2-[(2-methyl-1,4-dithiocan-5-yl)methyl]-1,3-dithiolan-2-yl]-1,3-dioxolane?
2-[4-methyl-2-[(2-methyl-1,4-dithiocan-5-yl)methyl]-1,3-dithiolan-2-yl]-1,3-dioxolane has a molecular weight of 366.64 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-[(2-methyl-1,4-dithiocan-5-yl)methyl]-1,3-dithiolan-2-yl]-1,3-dioxolane is sourced from PubChem (CID 23341473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).