1-(1-benzothiophen-2-yl)propan-2-one

C11H10OS — CID 12575457

IUPAC1-(1-benzothiophen-2-yl)propan-2-one
SMILESCC(=O)Cc1cc2ccccc2s1
InChIInChI=1S/C11H10OS/c1-8(12)6-10-7-9-4-2-3-5-11(9)13-10/h2-5,7H,6H2,1H3
InChIKeySZTYHOUOXOGCGP-UHFFFAOYSA-N
MW190.27 g/mol
LogP3.03
Rot. Bonds2

About 1-(1-benzothiophen-2-yl)propan-2-one

1-(1-benzothiophen-2-yl)propan-2-one (PubChem CID 12575457) has the molecular formula C11H10OS and a molecular weight of 190.27 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)propan-2-one
PubChem CID12575457
Molecular FormulaC11H10OS
Molecular Weight190.27 g/mol
Exact Mass190.05
IUPAC Name1-(1-benzothiophen-2-yl)propan-2-one
SMILESCC(=O)Cc1cc2ccccc2s1
InChIInChI=1S/C11H10OS/c1-8(12)6-10-7-9-4-2-3-5-11(9)13-10/h2-5,7H,6H2,1H3
InChIKeySZTYHOUOXOGCGP-UHFFFAOYSA-N
XLogP3.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzothiophen-2-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Acetylbenzothiophene
CID 89805
3-Acetylbenzothiophene
CID 14316
1-Benzothiophene-2-carbaldehyde
CID 736500
1-(5-Phenylthiophen-2-yl)ethan-1-one
CID 4962481
2-Benzoylthiophene
CID 67262
2-Methylbenzo(b)thiophene
CID 70952
2-(Benzo(b)thien-2-oyl)benzo(b)thiophene
CID 5330534
5-Methyl-1-benzothiophene-2-carbaldehyde
CID 2794770
2-Acetyl-3-methylbenzo[b]thiophene
CID 519603
2-Phenyl-1-(2-thienyl)ethanone
CID 687090
2-(5-Methyl-thiophen-2-ylmethylene)-benzo[b]thiophen-3-one
CID 777053
2-Acetyldibenzothiophene
CID 312027

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)propan-2-one?
The IUPAC name of 1-(1-benzothiophen-2-yl)propan-2-one (CID 12575457) is 1-(1-benzothiophen-2-yl)propan-2-one.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)propan-2-one?
The canonical SMILES for 1-(1-benzothiophen-2-yl)propan-2-one is CC(=O)Cc1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)propan-2-one?
The InChIKey is SZTYHOUOXOGCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10OS/c1-8(12)6-10-7-9-4-2-3-5-11(9)13-10/h2-5,7H,6H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)propan-2-one?
1-(1-benzothiophen-2-yl)propan-2-one has a molecular weight of 190.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)propan-2-one is sourced from PubChem (CID 12575457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).