1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyethylsulfanyl)ethanone

C9H10Cl2O2S2 — CID 43801651

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyethylsulfanyl)ethanone
SMILESCOCCSCC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H10Cl2O2S2/c1-13-2-3-14-5-7(12)6-4-8(10)15-9(6)11/h4H,2-3,5H2,1H3
InChIKeyVRVPWLKDDPZDAK-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.62
Rot. Bonds6

About 1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyethylsulfanyl)ethanone

1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyethylsulfanyl)ethanone (PubChem CID 43801651) has the molecular formula C9H10Cl2O2S2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyethylsulfanyl)ethanone
PubChem CID43801651
Molecular FormulaC9H10Cl2O2S2
Molecular Weight285.22 g/mol
Exact Mass283.95
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyethylsulfanyl)ethanone
SMILESCOCCSCC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H10Cl2O2S2/c1-13-2-3-14-5-7(12)6-4-8(10)15-9(6)11/h4H,2-3,5H2,1H3
InChIKeyVRVPWLKDDPZDAK-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyethylsulfanyl)ethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyethylsulfanyl)ethanone (CID 43801651) is 1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyethylsulfanyl)ethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyethylsulfanyl)ethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyethylsulfanyl)ethanone is COCCSCC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyethylsulfanyl)ethanone?
The InChIKey is VRVPWLKDDPZDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O2S2/c1-13-2-3-14-5-7(12)6-4-8(10)15-9(6)11/h4H,2-3,5H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyethylsulfanyl)ethanone?
1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyethylsulfanyl)ethanone has a molecular weight of 285.22 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyethylsulfanyl)ethanone is sourced from PubChem (CID 43801651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).