5-bromo-2-phenylsulfanyl-1-benzofuran

C14H9BrOS — CID 102503540

IUPAC5-bromo-2-phenylsulfanyl-1-benzofuran
SMILESBrc1ccc2oc(Sc3ccccc3)cc2c1
InChIInChI=1S/C14H9BrOS/c15-11-6-7-13-10(8-11)9-14(16-13)17-12-4-2-1-3-5-12/h1-9H
InChIKeyBAIRCJRILZEWST-UHFFFAOYSA-N
MW305.20 g/mol
LogP5.35
Rot. Bonds2

About 5-bromo-2-phenylsulfanyl-1-benzofuran

5-bromo-2-phenylsulfanyl-1-benzofuran (PubChem CID 102503540) has the molecular formula C14H9BrOS and a molecular weight of 305.20 g/mol. Its IUPAC name is 5-bromo-2-phenylsulfanyl-1-benzofuran.

Molecular Properties

Compound Name5-bromo-2-phenylsulfanyl-1-benzofuran
PubChem CID102503540
Molecular FormulaC14H9BrOS
Molecular Weight305.20 g/mol
Exact Mass303.96
IUPAC Name5-bromo-2-phenylsulfanyl-1-benzofuran
SMILESBrc1ccc2oc(Sc3ccccc3)cc2c1
InChIInChI=1S/C14H9BrOS/c15-11-6-7-13-10(8-11)9-14(16-13)17-12-4-2-1-3-5-12/h1-9H
InChIKeyBAIRCJRILZEWST-UHFFFAOYSA-N
XLogP5.35
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.20
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-phenylsulfanyl-1-benzofuran?
The IUPAC name of 5-bromo-2-phenylsulfanyl-1-benzofuran (CID 102503540) is 5-bromo-2-phenylsulfanyl-1-benzofuran.
What is the SMILES notation for 5-bromo-2-phenylsulfanyl-1-benzofuran?
The canonical SMILES for 5-bromo-2-phenylsulfanyl-1-benzofuran is Brc1ccc2oc(Sc3ccccc3)cc2c1.
What is the InChIKey of 5-bromo-2-phenylsulfanyl-1-benzofuran?
The InChIKey is BAIRCJRILZEWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrOS/c15-11-6-7-13-10(8-11)9-14(16-13)17-12-4-2-1-3-5-12/h1-9H.
What are the key properties of 5-bromo-2-phenylsulfanyl-1-benzofuran?
5-bromo-2-phenylsulfanyl-1-benzofuran has a molecular weight of 305.20 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-phenylsulfanyl-1-benzofuran is sourced from PubChem (CID 102503540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).