2-ethyl-4H-1,3-dithiine

C6H10S2 — CID 6428996

IUPAC2-ethyl-4H-1,3-dithiine
SMILESCCC1SC=CCS1
InChIInChI=1S/C6H10S2/c1-2-6-7-4-3-5-8-6/h3-4,6H,2,5H2,1H3
InChIKeyOPUQHLSMBCHWTE-UHFFFAOYSA-N
MW146.28 g/mol
LogP2.72
Rot. Bonds1

About 2-ethyl-4H-1,3-dithiine

2-ethyl-4H-1,3-dithiine (PubChem CID 6428996) has the molecular formula C6H10S2 and a molecular weight of 146.28 g/mol. Its IUPAC name is 2-ethyl-4H-1,3-dithiine.

Molecular Properties

Compound Name2-ethyl-4H-1,3-dithiine
PubChem CID6428996
Molecular FormulaC6H10S2
Molecular Weight146.28 g/mol
Exact Mass146.02
IUPAC Name2-ethyl-4H-1,3-dithiine
SMILESCCC1SC=CCS1
InChIInChI=1S/C6H10S2/c1-2-6-7-4-3-5-8-6/h3-4,6H,2,5H2,1H3
InChIKeyOPUQHLSMBCHWTE-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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-ethyl-4H-1,3-dithiine?
The IUPAC name of 2-ethyl-4H-1,3-dithiine (CID 6428996) is 2-ethyl-4H-1,3-dithiine.
What is the SMILES notation for 2-ethyl-4H-1,3-dithiine?
The canonical SMILES for 2-ethyl-4H-1,3-dithiine is CCC1SC=CCS1.
What is the InChIKey of 2-ethyl-4H-1,3-dithiine?
The InChIKey is OPUQHLSMBCHWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S2/c1-2-6-7-4-3-5-8-6/h3-4,6H,2,5H2,1H3.
What are the key properties of 2-ethyl-4H-1,3-dithiine?
2-ethyl-4H-1,3-dithiine has a molecular weight of 146.28 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4H-1,3-dithiine is sourced from PubChem (CID 6428996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).