2,3-dihydrofuran-5-yl(1,4-dithian-2-yl)methanone

C9H12O2S2 — CID 102651043

IUPAC2,3-dihydrofuran-5-yl(1,4-dithian-2-yl)methanone
SMILESO=C(C1=CCCO1)C1CSCCS1
InChIInChI=1S/C9H12O2S2/c10-9(7-2-1-3-11-7)8-6-12-4-5-13-8/h2,8H,1,3-6H2
InChIKeyUSAKDMZBCUBQKR-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.71
Rot. Bonds2

About 2,3-dihydrofuran-5-yl(1,4-dithian-2-yl)methanone

2,3-dihydrofuran-5-yl(1,4-dithian-2-yl)methanone (PubChem CID 102651043) has the molecular formula C9H12O2S2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl(1,4-dithian-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl(1,4-dithian-2-yl)methanone
PubChem CID102651043
Molecular FormulaC9H12O2S2
Molecular Weight216.33 g/mol
Exact Mass216.03
IUPAC Name2,3-dihydrofuran-5-yl(1,4-dithian-2-yl)methanone
SMILESO=C(C1=CCCO1)C1CSCCS1
InChIInChI=1S/C9H12O2S2/c10-9(7-2-1-3-11-7)8-6-12-4-5-13-8/h2,8H,1,3-6H2
InChIKeyUSAKDMZBCUBQKR-UHFFFAOYSA-N
XLogP1.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl(1,4-dithian-2-yl)methanone?
The IUPAC name of 2,3-dihydrofuran-5-yl(1,4-dithian-2-yl)methanone (CID 102651043) is 2,3-dihydrofuran-5-yl(1,4-dithian-2-yl)methanone.
What is the SMILES notation for 2,3-dihydrofuran-5-yl(1,4-dithian-2-yl)methanone?
The canonical SMILES for 2,3-dihydrofuran-5-yl(1,4-dithian-2-yl)methanone is O=C(C1=CCCO1)C1CSCCS1.
What is the InChIKey of 2,3-dihydrofuran-5-yl(1,4-dithian-2-yl)methanone?
The InChIKey is USAKDMZBCUBQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S2/c10-9(7-2-1-3-11-7)8-6-12-4-5-13-8/h2,8H,1,3-6H2.
What are the key properties of 2,3-dihydrofuran-5-yl(1,4-dithian-2-yl)methanone?
2,3-dihydrofuran-5-yl(1,4-dithian-2-yl)methanone has a molecular weight of 216.33 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-5-yl(1,4-dithian-2-yl)methanone is sourced from PubChem (CID 102651043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).