2-(2-bromoethylsulfanylmethyl)-5-ethylfuran

C9H13BrOS — CID 165483369

IUPAC2-(2-bromoethylsulfanylmethyl)-5-ethylfuran
SMILESCCc1ccc(CSCCBr)o1
InChIInChI=1S/C9H13BrOS/c1-2-8-3-4-9(11-8)7-12-6-5-10/h3-4H,2,5-7H2,1H3
InChIKeyRSZJWWFMWUYCBY-UHFFFAOYSA-N
MW249.17 g/mol
LogP3.47
Rot. Bonds5

About 2-(2-bromoethylsulfanylmethyl)-5-ethylfuran

2-(2-bromoethylsulfanylmethyl)-5-ethylfuran (PubChem CID 165483369) has the molecular formula C9H13BrOS and a molecular weight of 249.17 g/mol. Its IUPAC name is 2-(2-bromoethylsulfanylmethyl)-5-ethylfuran.

Molecular Properties

Compound Name2-(2-bromoethylsulfanylmethyl)-5-ethylfuran
PubChem CID165483369
Molecular FormulaC9H13BrOS
Molecular Weight249.17 g/mol
Exact Mass247.99
IUPAC Name2-(2-bromoethylsulfanylmethyl)-5-ethylfuran
SMILESCCc1ccc(CSCCBr)o1
InChIInChI=1S/C9H13BrOS/c1-2-8-3-4-9(11-8)7-12-6-5-10/h3-4H,2,5-7H2,1H3
InChIKeyRSZJWWFMWUYCBY-UHFFFAOYSA-N
XLogP3.47
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.17
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-(2-chloroethylsulfanylmethyl)furan
CID 131219734
[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methanol
CID 14234538
N-[[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methyl]-N-ethylhydroxylamine
CID 54401873
N-[[5-(2-methylsulfonylethylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 113372519
azane;1-[5-(ethylsulfanylmethyl)furan-2-yl]-N,N-dimethylmethanamine
CID 21285273
(5-ethylfuran-2-yl)phosphane
CID 118946047
2-(5-ethylfuran-2-yl)ethanamine
CID 62346486
4-[(5-bromofuran-2-yl)methylsulfanyl]butan-2-amine
CID 66233049
N-[[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methyl]-N-methylhydroxylamine;dihydrochloride
CID 131712297
N-[[5-(3-methylbutylsulfanylmethyl)furan-2-yl]methyl]propan-2-amine
CID 107764107
ethane;5-ethylfuran-2-sulfonic acid
CID 159027282
(5-ethylfuran-2-yl)methyl-trimethylazanium iodide
CID 23273795

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethylsulfanylmethyl)-5-ethylfuran?
The IUPAC name of 2-(2-bromoethylsulfanylmethyl)-5-ethylfuran (CID 165483369) is 2-(2-bromoethylsulfanylmethyl)-5-ethylfuran.
What is the SMILES notation for 2-(2-bromoethylsulfanylmethyl)-5-ethylfuran?
The canonical SMILES for 2-(2-bromoethylsulfanylmethyl)-5-ethylfuran is CCc1ccc(CSCCBr)o1.
What is the InChIKey of 2-(2-bromoethylsulfanylmethyl)-5-ethylfuran?
The InChIKey is RSZJWWFMWUYCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrOS/c1-2-8-3-4-9(11-8)7-12-6-5-10/h3-4H,2,5-7H2,1H3.
What are the key properties of 2-(2-bromoethylsulfanylmethyl)-5-ethylfuran?
2-(2-bromoethylsulfanylmethyl)-5-ethylfuran has a molecular weight of 249.17 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethylsulfanylmethyl)-5-ethylfuran is sourced from PubChem (CID 165483369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).