2-[bromo(triphenyl)-λ5-arsanyl]-1-thiophen-2-ylethanone

C24H20AsBrOS — CID 141231280

IUPAC2-[bromo(triphenyl)-λ5-arsanyl]-1-thiophen-2-ylethanone
SMILESO=C(C[As](Br)(c1ccccc1)(c1ccccc1)c1ccccc1)c1cccs1
InChIInChI=1S/C24H20AsBrOS/c26-25(20-11-4-1-5-12-20,21-13-6-2-7-14-21,22-15-8-3-9-16-22)19-23(27)24-17-10-18-28-24/h1-18H,19H2
InChIKeyZYFAILATUPWXHE-UHFFFAOYSA-N
MW511.32 g/mol
LogP4.95
Rot. Bonds6

About 2-[bromo(triphenyl)-λ5-arsanyl]-1-thiophen-2-ylethanone

2-[bromo(triphenyl)-λ5-arsanyl]-1-thiophen-2-ylethanone (PubChem CID 141231280) has the molecular formula C24H20AsBrOS and a molecular weight of 511.32 g/mol. Its IUPAC name is 2-[bromo(triphenyl)-λ5-arsanyl]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[bromo(triphenyl)-λ5-arsanyl]-1-thiophen-2-ylethanone
PubChem CID141231280
Molecular FormulaC24H20AsBrOS
Molecular Weight511.32 g/mol
Exact Mass509.96
IUPAC Name2-[bromo(triphenyl)-λ5-arsanyl]-1-thiophen-2-ylethanone
SMILESO=C(C[As](Br)(c1ccccc1)(c1ccccc1)c1ccccc1)c1cccs1
InChIInChI=1S/C24H20AsBrOS/c26-25(20-11-4-1-5-12-20,21-13-6-2-7-14-21,22-15-8-3-9-16-22)19-23(27)24-17-10-18-28-24/h1-18H,19H2
InChIKeyZYFAILATUPWXHE-UHFFFAOYSA-N
XLogP4.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.32
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-thiophen-2-ylpropan-1-one
CID 26179
2,4-dioxo-4-thiophen-2-ylbutanoic acid
CID 2771674
2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone
CID 177424685
2-phenylsulfanyl-1-thiophen-2-ylethanone
CID 11042682
5-hydroxy-1-thiophen-2-ylpentan-1-one
CID 102168662
2-[[(1S)-1-phenylethyl]amino]-1-thiophen-2-ylethanone
CID 2385109
3-anilino-1-thiophen-2-ylpropan-1-one
CID 2824394
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507
CID 11204853
CID 11204853
1-phenyl-2-thiophen-2-ylethane-1,2-dione
CID 2175267
4-phenoxy-1-thiophen-2-ylbutan-1-one
CID 43793631
2-phenylethylbenzene;thiophene-2-carboxylic acid
CID 175841387

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(triphenyl)-λ5-arsanyl]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[bromo(triphenyl)-λ5-arsanyl]-1-thiophen-2-ylethanone (CID 141231280) is 2-[bromo(triphenyl)-λ5-arsanyl]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[bromo(triphenyl)-λ5-arsanyl]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[bromo(triphenyl)-λ5-arsanyl]-1-thiophen-2-ylethanone is O=C(C[As](Br)(c1ccccc1)(c1ccccc1)c1ccccc1)c1cccs1.
What is the InChIKey of 2-[bromo(triphenyl)-λ5-arsanyl]-1-thiophen-2-ylethanone?
The InChIKey is ZYFAILATUPWXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20AsBrOS/c26-25(20-11-4-1-5-12-20,21-13-6-2-7-14-21,22-15-8-3-9-16-22)19-23(27)24-17-10-18-28-24/h1-18H,19H2.
What are the key properties of 2-[bromo(triphenyl)-λ5-arsanyl]-1-thiophen-2-ylethanone?
2-[bromo(triphenyl)-λ5-arsanyl]-1-thiophen-2-ylethanone has a molecular weight of 511.32 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(triphenyl)-λ5-arsanyl]-1-thiophen-2-ylethanone is sourced from PubChem (CID 141231280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).