2,3-dihydroindene-1-thione;ethane

C13H20S — CID 142140670

IUPAC2,3-dihydroindene-1-thione;ethane
SMILESCC.CC.S=C1CCc2ccccc21
InChIInChI=1S/C9H8S.2C2H6/c10-9-6-5-7-3-1-2-4-8(7)9;2*1-2/h1-4H,5-6H2;2*1-2H3
InChIKeyZNUJCWCBKXZKQR-UHFFFAOYSA-N
MW208.37 g/mol
LogP4.40
Rot. Bonds

About 2,3-dihydroindene-1-thione;ethane

2,3-dihydroindene-1-thione;ethane (PubChem CID 142140670) has the molecular formula C13H20S and a molecular weight of 208.37 g/mol. Its IUPAC name is 2,3-dihydroindene-1-thione;ethane.

Molecular Properties

Compound Name2,3-dihydroindene-1-thione;ethane
PubChem CID142140670
Molecular FormulaC13H20S
Molecular Weight208.37 g/mol
Exact Mass208.13
IUPAC Name2,3-dihydroindene-1-thione;ethane
SMILESCC.CC.S=C1CCc2ccccc21
InChIInChI=1S/C9H8S.2C2H6/c10-9-6-5-7-3-1-2-4-8(7)9;2*1-2/h1-4H,5-6H2;2*1-2H3
InChIKeyZNUJCWCBKXZKQR-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.37
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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9,10-dihydrophenanthren-2-ol;ethane
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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindene-1-thione;ethane?
The IUPAC name of 2,3-dihydroindene-1-thione;ethane (CID 142140670) is 2,3-dihydroindene-1-thione;ethane.
What is the SMILES notation for 2,3-dihydroindene-1-thione;ethane?
The canonical SMILES for 2,3-dihydroindene-1-thione;ethane is CC.CC.S=C1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindene-1-thione;ethane?
The InChIKey is ZNUJCWCBKXZKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8S.2C2H6/c10-9-6-5-7-3-1-2-4-8(7)9;2*1-2/h1-4H,5-6H2;2*1-2H3.
What are the key properties of 2,3-dihydroindene-1-thione;ethane?
2,3-dihydroindene-1-thione;ethane has a molecular weight of 208.37 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindene-1-thione;ethane is sourced from PubChem (CID 142140670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).