6-ethyl-2,5-dimethyl-2,3-dihydro-1,4-dithiine

C8H14S2 — CID 12920056

IUPAC6-ethyl-2,5-dimethyl-2,3-dihydro-1,4-dithiine
SMILESCCC1=C(C)SCC(C)S1
InChIInChI=1S/C8H14S2/c1-4-8-7(3)9-5-6(2)10-8/h6H,4-5H2,1-3H3
InChIKeyZNGAOYXHONGTEK-UHFFFAOYSA-N
MW174.33 g/mol
LogP3.50
Rot. Bonds1

About 6-ethyl-2,5-dimethyl-2,3-dihydro-1,4-dithiine

6-ethyl-2,5-dimethyl-2,3-dihydro-1,4-dithiine (PubChem CID 12920056) has the molecular formula C8H14S2 and a molecular weight of 174.33 g/mol. Its IUPAC name is 6-ethyl-2,5-dimethyl-2,3-dihydro-1,4-dithiine.

Molecular Properties

Compound Name6-ethyl-2,5-dimethyl-2,3-dihydro-1,4-dithiine
PubChem CID12920056
Molecular FormulaC8H14S2
Molecular Weight174.33 g/mol
Exact Mass174.05
IUPAC Name6-ethyl-2,5-dimethyl-2,3-dihydro-1,4-dithiine
SMILESCCC1=C(C)SCC(C)S1
InChIInChI=1S/C8H14S2/c1-4-8-7(3)9-5-6(2)10-8/h6H,4-5H2,1-3H3
InChIKeyZNGAOYXHONGTEK-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 6-ethyl-2,5-dimethyl-2,3-dihydro-1,4-dithiine?
The IUPAC name of 6-ethyl-2,5-dimethyl-2,3-dihydro-1,4-dithiine (CID 12920056) is 6-ethyl-2,5-dimethyl-2,3-dihydro-1,4-dithiine.
What is the SMILES notation for 6-ethyl-2,5-dimethyl-2,3-dihydro-1,4-dithiine?
The canonical SMILES for 6-ethyl-2,5-dimethyl-2,3-dihydro-1,4-dithiine is CCC1=C(C)SCC(C)S1.
What is the InChIKey of 6-ethyl-2,5-dimethyl-2,3-dihydro-1,4-dithiine?
The InChIKey is ZNGAOYXHONGTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S2/c1-4-8-7(3)9-5-6(2)10-8/h6H,4-5H2,1-3H3.
What are the key properties of 6-ethyl-2,5-dimethyl-2,3-dihydro-1,4-dithiine?
6-ethyl-2,5-dimethyl-2,3-dihydro-1,4-dithiine has a molecular weight of 174.33 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,5-dimethyl-2,3-dihydro-1,4-dithiine is sourced from PubChem (CID 12920056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).