1-(1-benzothiophen-7-yl)-2-chloroethanone

C10H7ClOS — CID 130948738

IUPAC1-(1-benzothiophen-7-yl)-2-chloroethanone
SMILESO=C(CCl)c1cccc2ccsc12
InChIInChI=1S/C10H7ClOS/c11-6-9(12)8-3-1-2-7-4-5-13-10(7)8/h1-5H,6H2
InChIKeyRTHZUEBOZKNUMW-UHFFFAOYSA-N
MW210.69 g/mol
LogP3.32
Rot. Bonds2

About 1-(1-benzothiophen-7-yl)-2-chloroethanone

1-(1-benzothiophen-7-yl)-2-chloroethanone (PubChem CID 130948738) has the molecular formula C10H7ClOS and a molecular weight of 210.69 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-chloroethanone.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-chloroethanone
PubChem CID130948738
Molecular FormulaC10H7ClOS
Molecular Weight210.69 g/mol
Exact Mass209.99
IUPAC Name1-(1-benzothiophen-7-yl)-2-chloroethanone
SMILESO=C(CCl)c1cccc2ccsc12
InChIInChI=1S/C10H7ClOS/c11-6-9(12)8-3-1-2-7-4-5-13-10(7)8/h1-5H,6H2
InChIKeyRTHZUEBOZKNUMW-UHFFFAOYSA-N
XLogP3.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.69
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-1-benzothiophene-7-carboxamide
CID 130770736
1-(1-benzothiophen-7-yl)-2-methylsulfonylethanone
CID 115791050
1-(1-benzothiophen-7-yl)-2-(propylamino)ethanone
CID 116562808
1-(1-benzothiophen-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105122134
1-(1-benzothiophen-7-yl)-2-(2,4-dichlorophenyl)ethanone
CID 81153455
1-(1-benzothiophen-7-yl)-2-cycloheptylethanone
CID 115791021
1-benzothiophen-7-yl-(2,6-dichlorophenyl)methanone
CID 115791052
1-(1-benzothiophen-7-yl)-2-methylpropan-1-one
CID 81153250
1-(1-benzothiophen-7-yl)-2-(butan-2-ylamino)ethanone
CID 116556159
3-(aminomethyl)-1-(1-benzothiophen-7-yl)pentan-1-one
CID 116596251
5-amino-1-(1-benzothiophen-7-yl)-4-methylpentan-1-one
CID 116607538
1-(1-benzothiophen-7-yl)-2-(2-methylphenyl)sulfanylethanone
CID 81153663

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2-chloroethanone?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-chloroethanone (CID 130948738) is 1-(1-benzothiophen-7-yl)-2-chloroethanone.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-chloroethanone?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-chloroethanone is O=C(CCl)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-chloroethanone?
The InChIKey is RTHZUEBOZKNUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClOS/c11-6-9(12)8-3-1-2-7-4-5-13-10(7)8/h1-5H,6H2.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-chloroethanone?
1-(1-benzothiophen-7-yl)-2-chloroethanone has a molecular weight of 210.69 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-2-chloroethanone is sourced from PubChem (CID 130948738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).