1-(1-benzothiophen-2-yl)-2,2-dichloroethanone

C10H6Cl2OS — CID 141104208

IUPAC1-(1-benzothiophen-2-yl)-2,2-dichloroethanone
SMILESO=C(c1cc2ccccc2s1)C(Cl)Cl
InChIInChI=1S/C10H6Cl2OS/c11-10(12)9(13)8-5-6-3-1-2-4-7(6)14-8/h1-5,10H
InChIKeyAWNRLWAGJMINLW-UHFFFAOYSA-N
MW245.13 g/mol
LogP3.89
Rot. Bonds2

About 1-(1-benzothiophen-2-yl)-2,2-dichloroethanone

1-(1-benzothiophen-2-yl)-2,2-dichloroethanone (PubChem CID 141104208) has the molecular formula C10H6Cl2OS and a molecular weight of 245.13 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2,2-dichloroethanone.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2,2-dichloroethanone
PubChem CID141104208
Molecular FormulaC10H6Cl2OS
Molecular Weight245.13 g/mol
Exact Mass243.95
IUPAC Name1-(1-benzothiophen-2-yl)-2,2-dichloroethanone
SMILESO=C(c1cc2ccccc2s1)C(Cl)Cl
InChIInChI=1S/C10H6Cl2OS/c11-10(12)9(13)8-5-6-3-1-2-4-7(6)14-8/h1-5,10H
InChIKeyAWNRLWAGJMINLW-UHFFFAOYSA-N
XLogP3.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 53.89
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

1-(1-benzothiophen-2-yl)-2-chloro-2-phenylethanone
CID 81236241
1-(1-benzothiophen-2-yl)-2-chloro-2-(4-fluorophenyl)ethanone
CID 81242363
1-(1-benzothiophen-2-yl)-2-bromopropan-1-one
CID 142706834
bis(1-benzothiophen-2-yl)methanone
CID 5330534
[5-(1-benzothiophene-2-carbonyl)thiophen-2-yl]-(1-benzothiophen-2-yl)methanone
CID 58875873
1-benzothiophen-2-yl(phenyl)methanone
CID 3842890
1-(1-benzothiophen-2-yl)propan-1-one;methanamine
CID 171632714
1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione
CID 11850792
1-benzothiophene-2-carbothioamide
CID 15166169
1-benzothiophen-2-yl-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102763000
(1-benzothiophene-2-carbonylamino)urea
CID 57488392
(E)-1-(1-benzothiophen-2-yl)-2-methylbut-2-en-1-one
CID 142740243

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2,2-dichloroethanone?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2,2-dichloroethanone (CID 141104208) is 1-(1-benzothiophen-2-yl)-2,2-dichloroethanone.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2,2-dichloroethanone?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2,2-dichloroethanone is O=C(c1cc2ccccc2s1)C(Cl)Cl.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2,2-dichloroethanone?
The InChIKey is AWNRLWAGJMINLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2OS/c11-10(12)9(13)8-5-6-3-1-2-4-7(6)14-8/h1-5,10H.
What are the key properties of 1-(1-benzothiophen-2-yl)-2,2-dichloroethanone?
1-(1-benzothiophen-2-yl)-2,2-dichloroethanone has a molecular weight of 245.13 g/mol, XLogP of 3.89, 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)-2,2-dichloroethanone is sourced from PubChem (CID 141104208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).