2,2-bis(1,3-dithiolan-2-yl)-1,3-dithiolane

C9H14S6 — CID 42605159

IUPAC2,2-bis(1,3-dithiolan-2-yl)-1,3-dithiolane
SMILESC1CSC(C2(C3SCCS3)SCCS2)S1
InChIInChI=1S/C9H14S6/c1-2-11-7(10-1)9(14-5-6-15-9)8-12-3-4-13-8/h7-8H,1-6H2
InChIKeyZKASLUBEOUEOFS-UHFFFAOYSA-N
MW314.61 g/mol
LogP3.77
Rot. Bonds2

About 2,2-bis(1,3-dithiolan-2-yl)-1,3-dithiolane

2,2-bis(1,3-dithiolan-2-yl)-1,3-dithiolane (PubChem CID 42605159) has the molecular formula C9H14S6 and a molecular weight of 314.61 g/mol. Its IUPAC name is 2,2-bis(1,3-dithiolan-2-yl)-1,3-dithiolane.

Molecular Properties

Compound Name2,2-bis(1,3-dithiolan-2-yl)-1,3-dithiolane
PubChem CID42605159
Molecular FormulaC9H14S6
Molecular Weight314.61 g/mol
Exact Mass313.94
IUPAC Name2,2-bis(1,3-dithiolan-2-yl)-1,3-dithiolane
SMILESC1CSC(C2(C3SCCS3)SCCS2)S1
InChIInChI=1S/C9H14S6/c1-2-11-7(10-1)9(14-5-6-15-9)8-12-3-4-13-8/h7-8H,1-6H2
InChIKeyZKASLUBEOUEOFS-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.61
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(1,3-dithiolan-2-yl)-1,3-dithiolane?
The IUPAC name of 2,2-bis(1,3-dithiolan-2-yl)-1,3-dithiolane (CID 42605159) is 2,2-bis(1,3-dithiolan-2-yl)-1,3-dithiolane.
What is the SMILES notation for 2,2-bis(1,3-dithiolan-2-yl)-1,3-dithiolane?
The canonical SMILES for 2,2-bis(1,3-dithiolan-2-yl)-1,3-dithiolane is C1CSC(C2(C3SCCS3)SCCS2)S1.
What is the InChIKey of 2,2-bis(1,3-dithiolan-2-yl)-1,3-dithiolane?
The InChIKey is ZKASLUBEOUEOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S6/c1-2-11-7(10-1)9(14-5-6-15-9)8-12-3-4-13-8/h7-8H,1-6H2.
What are the key properties of 2,2-bis(1,3-dithiolan-2-yl)-1,3-dithiolane?
2,2-bis(1,3-dithiolan-2-yl)-1,3-dithiolane has a molecular weight of 314.61 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1,3-dithiolan-2-yl)-1,3-dithiolane is sourced from PubChem (CID 42605159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).