1-benzothiophen-5-yl acetate

C10H8O2S — CID 15501124

IUPAC1-benzothiophen-5-yl acetate
SMILESCC(=O)Oc1ccc2sccc2c1
InChIInChI=1S/C10H8O2S/c1-7(11)12-9-2-3-10-8(6-9)4-5-13-10/h2-6H,1H3
InChIKeyHYPMZNIJCJSNFI-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.83
Rot. Bonds1

About 1-benzothiophen-5-yl acetate

1-benzothiophen-5-yl acetate (PubChem CID 15501124) has the molecular formula C10H8O2S and a molecular weight of 192.24 g/mol. Its IUPAC name is 1-benzothiophen-5-yl acetate.

Molecular Properties

Compound Name1-benzothiophen-5-yl acetate
PubChem CID15501124
Molecular FormulaC10H8O2S
Molecular Weight192.24 g/mol
Exact Mass192.02
IUPAC Name1-benzothiophen-5-yl acetate
SMILESCC(=O)Oc1ccc2sccc2c1
InChIInChI=1S/C10H8O2S/c1-7(11)12-9-2-3-10-8(6-9)4-5-13-10/h2-6H,1H3
InChIKeyHYPMZNIJCJSNFI-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 1-benzothiophen-5-yl acetate 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

5-(difluoromethoxy)-1-benzothiophene
CID 90740549
5-butoxy-1-benzothiophene
CID 23058090
(6-hydroxyanthracen-2-yl) acetate
CID 58800514
1-benzothiophen-5-yl difluoromethyl hydrogen phosphate
CID 175962330
(4-chloro-3-hydroxyphenyl) acetate
CID 11052361
(4-thiophen-2-ylphenyl) acetate
CID 18387761
2-amino-N-(1-benzothiophen-5-yl)-4-methoxybenzamide
CID 115412638
1-benzothiophene;ethane;propan-2-one
CID 90838293
ethyl 2-(1-benzothiophen-5-yl)-2-oxoacetate
CID 56949853
ethyl 3-(1-benzothiophen-5-yl)but-2-enoate
CID 70030562
[3-[2-(dimethylamino)ethyl]-1-benzothiophen-5-yl] acetate
CID 167469074
2-(1-benzothiophen-5-yl)-2-oxoacetamide
CID 144811555

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-5-yl acetate?
The IUPAC name of 1-benzothiophen-5-yl acetate (CID 15501124) is 1-benzothiophen-5-yl acetate.
What is the SMILES notation for 1-benzothiophen-5-yl acetate?
The canonical SMILES for 1-benzothiophen-5-yl acetate is CC(=O)Oc1ccc2sccc2c1.
What is the InChIKey of 1-benzothiophen-5-yl acetate?
The InChIKey is HYPMZNIJCJSNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2S/c1-7(11)12-9-2-3-10-8(6-9)4-5-13-10/h2-6H,1H3.
What are the key properties of 1-benzothiophen-5-yl acetate?
1-benzothiophen-5-yl acetate has a molecular weight of 192.24 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-5-yl acetate is sourced from PubChem (CID 15501124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).