2-bromo-5-(2-chloroethylsulfanylmethyl)furan

C7H8BrClOS — CID 131219734

IUPAC2-bromo-5-(2-chloroethylsulfanylmethyl)furan
SMILESClCCSCc1ccc(Br)o1
InChIInChI=1S/C7H8BrClOS/c8-7-2-1-6(10-7)5-11-4-3-9/h1-2H,3-5H2
InChIKeyYERQQNQDSMXENU-UHFFFAOYSA-N
MW255.56 g/mol
LogP3.51
Rot. Bonds4

About 2-bromo-5-(2-chloroethylsulfanylmethyl)furan

2-bromo-5-(2-chloroethylsulfanylmethyl)furan (PubChem CID 131219734) has the molecular formula C7H8BrClOS and a molecular weight of 255.56 g/mol. Its IUPAC name is 2-bromo-5-(2-chloroethylsulfanylmethyl)furan.

Molecular Properties

Compound Name2-bromo-5-(2-chloroethylsulfanylmethyl)furan
PubChem CID131219734
Molecular FormulaC7H8BrClOS
Molecular Weight255.56 g/mol
Exact Mass253.92
IUPAC Name2-bromo-5-(2-chloroethylsulfanylmethyl)furan
SMILESClCCSCc1ccc(Br)o1
InChIInChI=1S/C7H8BrClOS/c8-7-2-1-6(10-7)5-11-4-3-9/h1-2H,3-5H2
InChIKeyYERQQNQDSMXENU-UHFFFAOYSA-N
XLogP3.51
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.56
LogP ≤ 53.51
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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-chloroethylsulfanylmethyl)furan?
The IUPAC name of 2-bromo-5-(2-chloroethylsulfanylmethyl)furan (CID 131219734) is 2-bromo-5-(2-chloroethylsulfanylmethyl)furan.
What is the SMILES notation for 2-bromo-5-(2-chloroethylsulfanylmethyl)furan?
The canonical SMILES for 2-bromo-5-(2-chloroethylsulfanylmethyl)furan is ClCCSCc1ccc(Br)o1.
What is the InChIKey of 2-bromo-5-(2-chloroethylsulfanylmethyl)furan?
The InChIKey is YERQQNQDSMXENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrClOS/c8-7-2-1-6(10-7)5-11-4-3-9/h1-2H,3-5H2.
What are the key properties of 2-bromo-5-(2-chloroethylsulfanylmethyl)furan?
2-bromo-5-(2-chloroethylsulfanylmethyl)furan has a molecular weight of 255.56 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-chloroethylsulfanylmethyl)furan is sourced from PubChem (CID 131219734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).