ethane;propane;thieno[3,2-f][1]benzothiole-4,8-dione

C15H18O2S2 — CID 143843331

IUPACethane;propane;thieno[3,2-f][1]benzothiole-4,8-dione
SMILESCC.CCC.O=C1c2ccsc2C(=O)c2sccc21
InChIInChI=1S/C10H4O2S2.C3H8.C2H6/c11-7-5-1-3-13-9(5)8(12)10-6(7)2-4-14-10;1-3-2;1-2/h1-4H;3H2,1-2H3;1-2H3
InChIKeyFJXRQZKOCYKTKE-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.03
Rot. Bonds

About ethane;propane;thieno[3,2-f][1]benzothiole-4,8-dione

ethane;propane;thieno[3,2-f][1]benzothiole-4,8-dione (PubChem CID 143843331) has the molecular formula C15H18O2S2 and a molecular weight of 294.44 g/mol. Its IUPAC name is ethane;propane;thieno[3,2-f][1]benzothiole-4,8-dione.

Molecular Properties

Compound Nameethane;propane;thieno[3,2-f][1]benzothiole-4,8-dione
PubChem CID143843331
Molecular FormulaC15H18O2S2
Molecular Weight294.44 g/mol
Exact Mass294.07
IUPAC Nameethane;propane;thieno[3,2-f][1]benzothiole-4,8-dione
SMILESCC.CCC.O=C1c2ccsc2C(=O)c2sccc21
InChIInChI=1S/C10H4O2S2.C3H8.C2H6/c11-7-5-1-3-13-9(5)8(12)10-6(7)2-4-14-10;1-3-2;1-2/h1-4H;3H2,1-2H3;1-2H3
InChIKeyFJXRQZKOCYKTKE-UHFFFAOYSA-N
XLogP5.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;propane;thieno[3,2-f][1]benzothiole-4,8-dione?
The IUPAC name of ethane;propane;thieno[3,2-f][1]benzothiole-4,8-dione (CID 143843331) is ethane;propane;thieno[3,2-f][1]benzothiole-4,8-dione.
What is the SMILES notation for ethane;propane;thieno[3,2-f][1]benzothiole-4,8-dione?
The canonical SMILES for ethane;propane;thieno[3,2-f][1]benzothiole-4,8-dione is CC.CCC.O=C1c2ccsc2C(=O)c2sccc21.
What is the InChIKey of ethane;propane;thieno[3,2-f][1]benzothiole-4,8-dione?
The InChIKey is FJXRQZKOCYKTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4O2S2.C3H8.C2H6/c11-7-5-1-3-13-9(5)8(12)10-6(7)2-4-14-10;1-3-2;1-2/h1-4H;3H2,1-2H3;1-2H3.
What are the key properties of ethane;propane;thieno[3,2-f][1]benzothiole-4,8-dione?
ethane;propane;thieno[3,2-f][1]benzothiole-4,8-dione has a molecular weight of 294.44 g/mol, XLogP of 5.03, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;thieno[3,2-f][1]benzothiole-4,8-dione is sourced from PubChem (CID 143843331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).