2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dithiolane

C8H14S4 — CID 13199381

IUPAC2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dithiolane
SMILESC1CSC(CCC2SCCS2)S1
InChIInChI=1S/C8H14S4/c1(7-9-3-4-10-7)2-8-11-5-6-12-8/h7-8H,1-6H2
InChIKeyVSOKONKCWGDTBH-UHFFFAOYSA-N
MW238.47 g/mol
LogP3.38
Rot. Bonds3

About 2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dithiolane

2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dithiolane (PubChem CID 13199381) has the molecular formula C8H14S4 and a molecular weight of 238.47 g/mol. Its IUPAC name is 2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dithiolane.

Molecular Properties

Compound Name2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dithiolane
PubChem CID13199381
Molecular FormulaC8H14S4
Molecular Weight238.47 g/mol
Exact Mass238.00
IUPAC Name2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dithiolane
SMILESC1CSC(CCC2SCCS2)S1
InChIInChI=1S/C8H14S4/c1(7-9-3-4-10-7)2-8-11-5-6-12-8/h7-8H,1-6H2
InChIKeyVSOKONKCWGDTBH-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.47
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dithiolane?
The IUPAC name of 2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dithiolane (CID 13199381) is 2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dithiolane.
What is the SMILES notation for 2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dithiolane?
The canonical SMILES for 2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dithiolane is C1CSC(CCC2SCCS2)S1.
What is the InChIKey of 2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dithiolane?
The InChIKey is VSOKONKCWGDTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S4/c1(7-9-3-4-10-7)2-8-11-5-6-12-8/h7-8H,1-6H2.
What are the key properties of 2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dithiolane?
2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dithiolane has a molecular weight of 238.47 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dithiolane is sourced from PubChem (CID 13199381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).