1,5-dithiocane

C6H12S2 — CID 5259509

IUPAC1,5-dithiocane
SMILESC1CSCCCSC1
InChIInChI=1S/C6H12S2/c1-3-7-5-2-6-8-4-1/h1-6H2
InChIKeyQQMWBFKOHYFXKQ-UHFFFAOYSA-N
MW148.30 g/mol
LogP2.25
Rot. Bonds

About 1,5-dithiocane

1,5-dithiocane (PubChem CID 5259509) has the molecular formula C6H12S2 and a molecular weight of 148.30 g/mol. Its IUPAC name is 1,5-dithiocane.

Molecular Properties

Compound Name1,5-dithiocane
PubChem CID5259509
Molecular FormulaC6H12S2
Molecular Weight148.30 g/mol
Exact Mass148.04
IUPAC Name1,5-dithiocane
SMILESC1CSCCCSC1
InChIInChI=1S/C6H12S2/c1-3-7-5-2-6-8-4-1/h1-6H2
InChIKeyQQMWBFKOHYFXKQ-UHFFFAOYSA-N
XLogP2.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dithiocane?
The IUPAC name of 1,5-dithiocane (CID 5259509) is 1,5-dithiocane.
What is the SMILES notation for 1,5-dithiocane?
The canonical SMILES for 1,5-dithiocane is C1CSCCCSC1.
What is the InChIKey of 1,5-dithiocane?
The InChIKey is QQMWBFKOHYFXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S2/c1-3-7-5-2-6-8-4-1/h1-6H2.
What are the key properties of 1,5-dithiocane?
1,5-dithiocane has a molecular weight of 148.30 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dithiocane is sourced from PubChem (CID 5259509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).