4-bromo-2-phenylsulfanylfuran

C10H7BrOS — CID 641480

IUPAC4-bromo-2-phenylsulfanylfuran
SMILESBrc1coc(Sc2ccccc2)c1
InChIInChI=1S/C10H7BrOS/c11-8-6-10(12-7-8)13-9-4-2-1-3-5-9/h1-7H
InChIKeyIZGBBMLEKHUZEP-UHFFFAOYSA-N
MW255.14 g/mol
LogP4.19
Rot. Bonds2

About 4-bromo-2-phenylsulfanylfuran

4-bromo-2-phenylsulfanylfuran (PubChem CID 641480) has the molecular formula C10H7BrOS and a molecular weight of 255.14 g/mol. Its IUPAC name is 4-bromo-2-phenylsulfanylfuran.

Molecular Properties

Compound Name4-bromo-2-phenylsulfanylfuran
PubChem CID641480
Molecular FormulaC10H7BrOS
Molecular Weight255.14 g/mol
Exact Mass253.94
IUPAC Name4-bromo-2-phenylsulfanylfuran
SMILESBrc1coc(Sc2ccccc2)c1
InChIInChI=1S/C10H7BrOS/c11-8-6-10(12-7-8)13-9-4-2-1-3-5-9/h1-7H
InChIKeyIZGBBMLEKHUZEP-UHFFFAOYSA-N
XLogP4.19
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-phenylsulfanylfuran?
The IUPAC name of 4-bromo-2-phenylsulfanylfuran (CID 641480) is 4-bromo-2-phenylsulfanylfuran.
What is the SMILES notation for 4-bromo-2-phenylsulfanylfuran?
The canonical SMILES for 4-bromo-2-phenylsulfanylfuran is Brc1coc(Sc2ccccc2)c1.
What is the InChIKey of 4-bromo-2-phenylsulfanylfuran?
The InChIKey is IZGBBMLEKHUZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrOS/c11-8-6-10(12-7-8)13-9-4-2-1-3-5-9/h1-7H.
What are the key properties of 4-bromo-2-phenylsulfanylfuran?
4-bromo-2-phenylsulfanylfuran has a molecular weight of 255.14 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-phenylsulfanylfuran is sourced from PubChem (CID 641480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).