6,7-dihydro-5H-2-benzothiophen-4-one;ethane

C10H14OS — CID 90986322

IUPAC6,7-dihydro-5H-2-benzothiophen-4-one;ethane
SMILESCC.O=C1CCCc2cscc21
InChIInChI=1S/C8H8OS.C2H6/c9-8-3-1-2-6-4-10-5-7(6)8;1-2/h4-5H,1-3H2;1-2H3
InChIKeyRKVNBVJCGQORQS-UHFFFAOYSA-N
MW182.29 g/mol
LogP3.29
Rot. Bonds

About 6,7-dihydro-5H-2-benzothiophen-4-one;ethane

6,7-dihydro-5H-2-benzothiophen-4-one;ethane (PubChem CID 90986322) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 6,7-dihydro-5H-2-benzothiophen-4-one;ethane.

Molecular Properties

Compound Name6,7-dihydro-5H-2-benzothiophen-4-one;ethane
PubChem CID90986322
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name6,7-dihydro-5H-2-benzothiophen-4-one;ethane
SMILESCC.O=C1CCCc2cscc21
InChIInChI=1S/C8H8OS.C2H6/c9-8-3-1-2-6-4-10-5-7(6)8;1-2/h4-5H,1-3H2;1-2H3
InChIKeyRKVNBVJCGQORQS-UHFFFAOYSA-N
XLogP3.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-2-benzothiophen-4-one;ethane?
The IUPAC name of 6,7-dihydro-5H-2-benzothiophen-4-one;ethane (CID 90986322) is 6,7-dihydro-5H-2-benzothiophen-4-one;ethane.
What is the SMILES notation for 6,7-dihydro-5H-2-benzothiophen-4-one;ethane?
The canonical SMILES for 6,7-dihydro-5H-2-benzothiophen-4-one;ethane is CC.O=C1CCCc2cscc21.
What is the InChIKey of 6,7-dihydro-5H-2-benzothiophen-4-one;ethane?
The InChIKey is RKVNBVJCGQORQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8OS.C2H6/c9-8-3-1-2-6-4-10-5-7(6)8;1-2/h4-5H,1-3H2;1-2H3.
What are the key properties of 6,7-dihydro-5H-2-benzothiophen-4-one;ethane?
6,7-dihydro-5H-2-benzothiophen-4-one;ethane has a molecular weight of 182.29 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-2-benzothiophen-4-one;ethane is sourced from PubChem (CID 90986322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).