2,6-diethyl-2,3-dihydro-1,4-dithiine

C8H14S2 — CID 12920063

IUPAC2,6-diethyl-2,3-dihydro-1,4-dithiine
SMILESCCC1=CSCC(CC)S1
InChIInChI=1S/C8H14S2/c1-3-7-5-9-6-8(4-2)10-7/h5,8H,3-4,6H2,1-2H3
InChIKeyYBRYNNHQDCEJJC-UHFFFAOYSA-N
MW174.33 g/mol
LogP3.50
Rot. Bonds2

About 2,6-diethyl-2,3-dihydro-1,4-dithiine

2,6-diethyl-2,3-dihydro-1,4-dithiine (PubChem CID 12920063) has the molecular formula C8H14S2 and a molecular weight of 174.33 g/mol. Its IUPAC name is 2,6-diethyl-2,3-dihydro-1,4-dithiine.

Molecular Properties

Compound Name2,6-diethyl-2,3-dihydro-1,4-dithiine
PubChem CID12920063
Molecular FormulaC8H14S2
Molecular Weight174.33 g/mol
Exact Mass174.05
IUPAC Name2,6-diethyl-2,3-dihydro-1,4-dithiine
SMILESCCC1=CSCC(CC)S1
InChIInChI=1S/C8H14S2/c1-3-7-5-9-6-8(4-2)10-7/h5,8H,3-4,6H2,1-2H3
InChIKeyYBRYNNHQDCEJJC-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-2,3-dihydro-1,4-dithiine?
The IUPAC name of 2,6-diethyl-2,3-dihydro-1,4-dithiine (CID 12920063) is 2,6-diethyl-2,3-dihydro-1,4-dithiine.
What is the SMILES notation for 2,6-diethyl-2,3-dihydro-1,4-dithiine?
The canonical SMILES for 2,6-diethyl-2,3-dihydro-1,4-dithiine is CCC1=CSCC(CC)S1.
What is the InChIKey of 2,6-diethyl-2,3-dihydro-1,4-dithiine?
The InChIKey is YBRYNNHQDCEJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S2/c1-3-7-5-9-6-8(4-2)10-7/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 2,6-diethyl-2,3-dihydro-1,4-dithiine?
2,6-diethyl-2,3-dihydro-1,4-dithiine has a molecular weight of 174.33 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-2,3-dihydro-1,4-dithiine is sourced from PubChem (CID 12920063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).