1-(3-phenylthiophen-2-yl)ethanone

C12H10OS — CID 901541

IUPAC1-(3-phenylthiophen-2-yl)ethanone
SMILESCC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C12H10OS/c1-9(13)12-11(7-8-14-12)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyKVNLGJFKFBLTAF-UHFFFAOYSA-N
MW202.28 g/mol
LogP3.62
Rot. Bonds2

About 1-(3-phenylthiophen-2-yl)ethanone

1-(3-phenylthiophen-2-yl)ethanone (PubChem CID 901541) has the molecular formula C12H10OS and a molecular weight of 202.28 g/mol. Its IUPAC name is 1-(3-phenylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-phenylthiophen-2-yl)ethanone
PubChem CID901541
Molecular FormulaC12H10OS
Molecular Weight202.28 g/mol
Exact Mass202.05
IUPAC Name1-(3-phenylthiophen-2-yl)ethanone
SMILESCC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C12H10OS/c1-9(13)12-11(7-8-14-12)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyKVNLGJFKFBLTAF-UHFFFAOYSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylthiophen-2-yl)ethanone?
The IUPAC name of 1-(3-phenylthiophen-2-yl)ethanone (CID 901541) is 1-(3-phenylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(3-phenylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(3-phenylthiophen-2-yl)ethanone is CC(=O)c1sccc1-c1ccccc1.
What is the InChIKey of 1-(3-phenylthiophen-2-yl)ethanone?
The InChIKey is KVNLGJFKFBLTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OS/c1-9(13)12-11(7-8-14-12)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 1-(3-phenylthiophen-2-yl)ethanone?
1-(3-phenylthiophen-2-yl)ethanone has a molecular weight of 202.28 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylthiophen-2-yl)ethanone is sourced from PubChem (CID 901541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).