1-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone

C13H11ClO2S — CID 43412900

IUPAC1-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone
SMILESO=C(CSCc1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClO2S/c14-11-5-3-10(4-6-11)13(15)9-17-8-12-2-1-7-16-12/h1-7H,8-9H2
InChIKeyWHKDWFFESNYUOR-UHFFFAOYSA-N
MW266.75 g/mol
LogP4.05
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone

1-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone (PubChem CID 43412900) has the molecular formula C13H11ClO2S and a molecular weight of 266.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone
PubChem CID43412900
Molecular FormulaC13H11ClO2S
Molecular Weight266.75 g/mol
Exact Mass266.02
IUPAC Name1-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone
SMILESO=C(CSCc1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClO2S/c14-11-5-3-10(4-6-11)13(15)9-17-8-12-2-1-7-16-12/h1-7H,8-9H2
InChIKeyWHKDWFFESNYUOR-UHFFFAOYSA-N
XLogP4.05
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(furan-2-ylmethylsulfanyl)acetyl]benzonitrile
CID 43225023
2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanone
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2-(furan-2-ylmethylsulfanyl)-1-[4-(2-methylpropoxy)phenyl]ethanone
CID 82050436
furan-2-ylmethyl 4-(4-chlorophenyl)-4-oxobutanoate
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2-(furan-2-ylmethylsulfanyl)-1-(2-methyl-3H-benzimidazol-5-yl)ethanone
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(3R)-1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-(furan-2-ylmethylsulfanyl)propan-1-one
CID 1036551
1-(4-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62619027
1-(2,5-dibromothiophen-3-yl)-2-(furan-2-ylmethylsulfanyl)ethanone
CID 43220024
2-(furan-2-ylmethylsulfanyl)-1-phenothiazin-10-ylethanone
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2-[(4-chlorophenyl)methylsulfanyl]-1-(4-propylphenyl)ethanone
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N-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone (CID 43412900) is 1-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone is O=C(CSCc1ccco1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone?
The InChIKey is WHKDWFFESNYUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2S/c14-11-5-3-10(4-6-11)13(15)9-17-8-12-2-1-7-16-12/h1-7H,8-9H2.
What are the key properties of 1-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone?
1-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone has a molecular weight of 266.75 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone is sourced from PubChem (CID 43412900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).