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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Related Compounds

2,2-Bi-1,3-dithiolane
CID 138829
1,3-Dithiolane, 2,2'-ethylenebis(2-methyl-
CID 43225
2,2'-Methylenebis(2-methyl-1,3-dithiolane)
CID 29609
2,2'-Dimethyl-2,2'-bi-1,3-dithiolane
CID 280720
2-[2-(1,3-Dithiolan-2-ylsulfanyl)ethylsulfanyl]-1,3-dithiolane
CID 12376310
2-(1,3-Dithiolan-2-ylmethyl)-1,3-dithiolane
CID 12280362
1-(2-(Thiolan-1-ium-1-yl)ethyl)thiolan-1-ium;bromide
CID 54600172
1-[4-(Thiolan-1-ium-1-yl)butyl]thiolan-1-ium
CID 412322
1,4,7,10,11,14-Hexathiadispiro[4.0.4.4]tetradecane
CID 280718
[3-(Sulfanylmethyl)-1,4,6,9-tetrathiaspiro[4.4]nonan-8-yl]methanethiol
CID 59341509
2-Methyl-2-(1,3-dithiolan-2-ylmethyl)-1,3-dithiolane
CID 12398085
1,4,6-Trithiaspiro[4.4]nonane
CID 14869211

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).