1-(2,4-dichlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanone

C13H10Cl2O2S — CID 107781186

IUPAC1-(2,4-dichlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanone
SMILESCc1occc1SCC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2O2S/c1-8-13(4-5-17-8)18-7-12(16)10-3-2-9(14)6-11(10)15/h2-6H,7H2,1H3
InChIKeyXSIQKAFLMFCEBT-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.87
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanone

1-(2,4-dichlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanone (PubChem CID 107781186) has the molecular formula C13H10Cl2O2S and a molecular weight of 301.19 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanone
PubChem CID107781186
Molecular FormulaC13H10Cl2O2S
Molecular Weight301.19 g/mol
Exact Mass299.98
IUPAC Name1-(2,4-dichlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanone
SMILESCc1occc1SCC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2O2S/c1-8-13(4-5-17-8)18-7-12(16)10-3-2-9(14)6-11(10)15/h2-6H,7H2,1H3
InChIKeyXSIQKAFLMFCEBT-UHFFFAOYSA-N
XLogP4.87
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-5-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide
CID 107779905
1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylethanone
CID 43411730
2-(2-methylfuran-3-yl)sulfanyl-1-(1-methylpyrrol-2-yl)ethanone
CID 86799287
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-(2,4-dichlorophenyl)ethanone
CID 23854033
1-(2,4-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7145374
N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 19299392
2-chloro-4-(2-methylfuran-3-yl)sulfanylbenzoic acid
CID 107782660
1-(2,4-dichlorophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 114281153
2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9472501
2-(2-methylfuran-3-yl)sulfanyl-1-(4-nitro-1H-pyrrol-2-yl)ethanone
CID 114000873
1-(5-chloro-2-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone
CID 66095674
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylfuran-3-carboxamide
CID 7289797

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanone (CID 107781186) is 1-(2,4-dichlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanone is Cc1occc1SCC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanone?
The InChIKey is XSIQKAFLMFCEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O2S/c1-8-13(4-5-17-8)18-7-12(16)10-3-2-9(14)6-11(10)15/h2-6H,7H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanone?
1-(2,4-dichlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanone has a molecular weight of 301.19 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanone is sourced from PubChem (CID 107781186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).