2-(1,3-dithian-2-yl)-1,3-dithiane

C8H14S4 — CID 12530062

IUPAC2-(1,3-dithian-2-yl)-1,3-dithiane
SMILESC1CSC(C2SCCCS2)SC1
InChIInChI=1S/C8H14S4/c1-3-9-7(10-4-1)8-11-5-2-6-12-8/h7-8H,1-6H2
InChIKeyFPOILGJQKDBPMS-UHFFFAOYSA-N
MW238.47 g/mol
LogP3.38
Rot. Bonds1

About 2-(1,3-dithian-2-yl)-1,3-dithiane

2-(1,3-dithian-2-yl)-1,3-dithiane (PubChem CID 12530062) has the molecular formula C8H14S4 and a molecular weight of 238.47 g/mol. Its IUPAC name is 2-(1,3-dithian-2-yl)-1,3-dithiane.

Molecular Properties

Compound Name2-(1,3-dithian-2-yl)-1,3-dithiane
PubChem CID12530062
Molecular FormulaC8H14S4
Molecular Weight238.47 g/mol
Exact Mass238.00
IUPAC Name2-(1,3-dithian-2-yl)-1,3-dithiane
SMILESC1CSC(C2SCCCS2)SC1
InChIInChI=1S/C8H14S4/c1-3-9-7(10-4-1)8-11-5-2-6-12-8/h7-8H,1-6H2
InChIKeyFPOILGJQKDBPMS-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
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-(1,3-dithian-2-yl)-1,3-dithiane?
The IUPAC name of 2-(1,3-dithian-2-yl)-1,3-dithiane (CID 12530062) is 2-(1,3-dithian-2-yl)-1,3-dithiane.
What is the SMILES notation for 2-(1,3-dithian-2-yl)-1,3-dithiane?
The canonical SMILES for 2-(1,3-dithian-2-yl)-1,3-dithiane is C1CSC(C2SCCCS2)SC1.
What is the InChIKey of 2-(1,3-dithian-2-yl)-1,3-dithiane?
The InChIKey is FPOILGJQKDBPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S4/c1-3-9-7(10-4-1)8-11-5-2-6-12-8/h7-8H,1-6H2.
What are the key properties of 2-(1,3-dithian-2-yl)-1,3-dithiane?
2-(1,3-dithian-2-yl)-1,3-dithiane has a molecular weight of 238.47 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dithian-2-yl)-1,3-dithiane is sourced from PubChem (CID 12530062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).