3-thiophen-2-yl-1,5-dithiocane

C10H14S3 — CID 20737216

IUPAC3-thiophen-2-yl-1,5-dithiocane
SMILESc1csc(C2CSCCCSC2)c1
InChIInChI=1S/C10H14S3/c1-3-10(13-6-1)9-7-11-4-2-5-12-8-9/h1,3,6,9H,2,4-5,7-8H2
InChIKeyZLTKJHDWCBSFEH-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.70
Rot. Bonds1

About 3-thiophen-2-yl-1,5-dithiocane

3-thiophen-2-yl-1,5-dithiocane (PubChem CID 20737216) has the molecular formula C10H14S3 and a molecular weight of 230.42 g/mol. Its IUPAC name is 3-thiophen-2-yl-1,5-dithiocane.

Molecular Properties

Compound Name3-thiophen-2-yl-1,5-dithiocane
PubChem CID20737216
Molecular FormulaC10H14S3
Molecular Weight230.42 g/mol
Exact Mass230.03
IUPAC Name3-thiophen-2-yl-1,5-dithiocane
SMILESc1csc(C2CSCCCSC2)c1
InChIInChI=1S/C10H14S3/c1-3-10(13-6-1)9-7-11-4-2-5-12-8-9/h1,3,6,9H,2,4-5,7-8H2
InChIKeyZLTKJHDWCBSFEH-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-1,5-dithiocane?
The IUPAC name of 3-thiophen-2-yl-1,5-dithiocane (CID 20737216) is 3-thiophen-2-yl-1,5-dithiocane.
What is the SMILES notation for 3-thiophen-2-yl-1,5-dithiocane?
The canonical SMILES for 3-thiophen-2-yl-1,5-dithiocane is c1csc(C2CSCCCSC2)c1.
What is the InChIKey of 3-thiophen-2-yl-1,5-dithiocane?
The InChIKey is ZLTKJHDWCBSFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S3/c1-3-10(13-6-1)9-7-11-4-2-5-12-8-9/h1,3,6,9H,2,4-5,7-8H2.
What are the key properties of 3-thiophen-2-yl-1,5-dithiocane?
3-thiophen-2-yl-1,5-dithiocane has a molecular weight of 230.42 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-1,5-dithiocane is sourced from PubChem (CID 20737216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).