2,3-dihydrofuran-4-yl-(3-ethyl-1,4-dithian-2-yl)methanone

C11H16O2S2 — CID 130579316

IUPAC2,3-dihydrofuran-4-yl-(3-ethyl-1,4-dithian-2-yl)methanone
SMILESCCC1SCCSC1C(=O)C1=COCC1
InChIInChI=1S/C11H16O2S2/c1-2-9-11(15-6-5-14-9)10(12)8-3-4-13-7-8/h7,9,11H,2-6H2,1H3
InChIKeyMFXDJWDMNWLUHA-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.49
Rot. Bonds3

About 2,3-dihydrofuran-4-yl-(3-ethyl-1,4-dithian-2-yl)methanone

2,3-dihydrofuran-4-yl-(3-ethyl-1,4-dithian-2-yl)methanone (PubChem CID 130579316) has the molecular formula C11H16O2S2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2,3-dihydrofuran-4-yl-(3-ethyl-1,4-dithian-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-4-yl-(3-ethyl-1,4-dithian-2-yl)methanone
PubChem CID130579316
Molecular FormulaC11H16O2S2
Molecular Weight244.38 g/mol
Exact Mass244.06
IUPAC Name2,3-dihydrofuran-4-yl-(3-ethyl-1,4-dithian-2-yl)methanone
SMILESCCC1SCCSC1C(=O)C1=COCC1
InChIInChI=1S/C11H16O2S2/c1-2-9-11(15-6-5-14-9)10(12)8-3-4-13-7-8/h7,9,11H,2-6H2,1H3
InChIKeyMFXDJWDMNWLUHA-UHFFFAOYSA-N
XLogP2.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-4-yl-(3-ethyl-1,4-dithian-2-yl)methanone?
The IUPAC name of 2,3-dihydrofuran-4-yl-(3-ethyl-1,4-dithian-2-yl)methanone (CID 130579316) is 2,3-dihydrofuran-4-yl-(3-ethyl-1,4-dithian-2-yl)methanone.
What is the SMILES notation for 2,3-dihydrofuran-4-yl-(3-ethyl-1,4-dithian-2-yl)methanone?
The canonical SMILES for 2,3-dihydrofuran-4-yl-(3-ethyl-1,4-dithian-2-yl)methanone is CCC1SCCSC1C(=O)C1=COCC1.
What is the InChIKey of 2,3-dihydrofuran-4-yl-(3-ethyl-1,4-dithian-2-yl)methanone?
The InChIKey is MFXDJWDMNWLUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S2/c1-2-9-11(15-6-5-14-9)10(12)8-3-4-13-7-8/h7,9,11H,2-6H2,1H3.
What are the key properties of 2,3-dihydrofuran-4-yl-(3-ethyl-1,4-dithian-2-yl)methanone?
2,3-dihydrofuran-4-yl-(3-ethyl-1,4-dithian-2-yl)methanone has a molecular weight of 244.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-4-yl-(3-ethyl-1,4-dithian-2-yl)methanone is sourced from PubChem (CID 130579316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).