2-ethylidene-1,3-dithiane

C6H10S2 — CID 589592

IUPAC2-ethylidene-1,3-dithiane
SMILESCC=C1SCCCS1
InChIInChI=1S/C6H10S2/c1-2-6-7-4-3-5-8-6/h2H,3-5H2,1H3
InChIKeyWNNFMNLZTIEHOD-UHFFFAOYSA-N
MW146.28 g/mol
LogP2.72
Rot. Bonds

About 2-ethylidene-1,3-dithiane

2-ethylidene-1,3-dithiane (PubChem CID 589592) has the molecular formula C6H10S2 and a molecular weight of 146.28 g/mol. Its IUPAC name is 2-ethylidene-1,3-dithiane.

Molecular Properties

Compound Name2-ethylidene-1,3-dithiane
PubChem CID589592
Molecular FormulaC6H10S2
Molecular Weight146.28 g/mol
Exact Mass146.02
IUPAC Name2-ethylidene-1,3-dithiane
SMILESCC=C1SCCCS1
InChIInChI=1S/C6H10S2/c1-2-6-7-4-3-5-8-6/h2H,3-5H2,1H3
InChIKeyWNNFMNLZTIEHOD-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-1,3-dithiane?
The IUPAC name of 2-ethylidene-1,3-dithiane (CID 589592) is 2-ethylidene-1,3-dithiane.
What is the SMILES notation for 2-ethylidene-1,3-dithiane?
The canonical SMILES for 2-ethylidene-1,3-dithiane is CC=C1SCCCS1.
What is the InChIKey of 2-ethylidene-1,3-dithiane?
The InChIKey is WNNFMNLZTIEHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S2/c1-2-6-7-4-3-5-8-6/h2H,3-5H2,1H3.
What are the key properties of 2-ethylidene-1,3-dithiane?
2-ethylidene-1,3-dithiane has a molecular weight of 146.28 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-1,3-dithiane is sourced from PubChem (CID 589592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).