ethane;2-methyl-1-thieno[2,3-c]thiophen-2-ylpropan-1-one

C12H16OS2 — CID 144934097

IUPACethane;2-methyl-1-thieno[2,3-c]thiophen-2-ylpropan-1-one
SMILESCC.CC(C)C(=O)c1cc2cscc2s1
InChIInChI=1S/C10H10OS2.C2H6/c1-6(2)10(11)8-3-7-4-12-5-9(7)13-8;1-2/h3-6H,1-2H3;1-2H3
InChIKeyKNAJWNQITVMOEK-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.83
Rot. Bonds2

About ethane;2-methyl-1-thieno[2,3-c]thiophen-2-ylpropan-1-one

ethane;2-methyl-1-thieno[2,3-c]thiophen-2-ylpropan-1-one (PubChem CID 144934097) has the molecular formula C12H16OS2 and a molecular weight of 240.39 g/mol. Its IUPAC name is ethane;2-methyl-1-thieno[2,3-c]thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Nameethane;2-methyl-1-thieno[2,3-c]thiophen-2-ylpropan-1-one
PubChem CID144934097
Molecular FormulaC12H16OS2
Molecular Weight240.39 g/mol
Exact Mass240.06
IUPAC Nameethane;2-methyl-1-thieno[2,3-c]thiophen-2-ylpropan-1-one
SMILESCC.CC(C)C(=O)c1cc2cscc2s1
InChIInChI=1S/C10H10OS2.C2H6/c1-6(2)10(11)8-3-7-4-12-5-9(7)13-8;1-2/h3-6H,1-2H3;1-2H3
InChIKeyKNAJWNQITVMOEK-UHFFFAOYSA-N
XLogP4.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-thieno[2,3-c]thiophen-2-ylpropan-1-one?
The IUPAC name of ethane;2-methyl-1-thieno[2,3-c]thiophen-2-ylpropan-1-one (CID 144934097) is ethane;2-methyl-1-thieno[2,3-c]thiophen-2-ylpropan-1-one.
What is the SMILES notation for ethane;2-methyl-1-thieno[2,3-c]thiophen-2-ylpropan-1-one?
The canonical SMILES for ethane;2-methyl-1-thieno[2,3-c]thiophen-2-ylpropan-1-one is CC.CC(C)C(=O)c1cc2cscc2s1.
What is the InChIKey of ethane;2-methyl-1-thieno[2,3-c]thiophen-2-ylpropan-1-one?
The InChIKey is KNAJWNQITVMOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS2.C2H6/c1-6(2)10(11)8-3-7-4-12-5-9(7)13-8;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-1-thieno[2,3-c]thiophen-2-ylpropan-1-one?
ethane;2-methyl-1-thieno[2,3-c]thiophen-2-ylpropan-1-one has a molecular weight of 240.39 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-thieno[2,3-c]thiophen-2-ylpropan-1-one is sourced from PubChem (CID 144934097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).