5-bromo-2-methyl-3-phenylsulfanyl-1-benzofuran

C15H11BrOS — CID 90886434

IUPAC5-bromo-2-methyl-3-phenylsulfanyl-1-benzofuran
SMILESCc1oc2ccc(Br)cc2c1Sc1ccccc1
InChIInChI=1S/C15H11BrOS/c1-10-15(18-12-5-3-2-4-6-12)13-9-11(16)7-8-14(13)17-10/h2-9H,1H3
InChIKeyJXSUDWZDIVVQGF-UHFFFAOYSA-N
MW319.22 g/mol
LogP5.65
Rot. Bonds2

About 5-bromo-2-methyl-3-phenylsulfanyl-1-benzofuran

5-bromo-2-methyl-3-phenylsulfanyl-1-benzofuran (PubChem CID 90886434) has the molecular formula C15H11BrOS and a molecular weight of 319.22 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-phenylsulfanyl-1-benzofuran.

Molecular Properties

Compound Name5-bromo-2-methyl-3-phenylsulfanyl-1-benzofuran
PubChem CID90886434
Molecular FormulaC15H11BrOS
Molecular Weight319.22 g/mol
Exact Mass317.97
IUPAC Name5-bromo-2-methyl-3-phenylsulfanyl-1-benzofuran
SMILESCc1oc2ccc(Br)cc2c1Sc1ccccc1
InChIInChI=1S/C15H11BrOS/c1-10-15(18-12-5-3-2-4-6-12)13-9-11(16)7-8-14(13)17-10/h2-9H,1H3
InChIKeyJXSUDWZDIVVQGF-UHFFFAOYSA-N
XLogP5.65
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.22
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-3-phenylsulfanyl-1-benzofuran?
The IUPAC name of 5-bromo-2-methyl-3-phenylsulfanyl-1-benzofuran (CID 90886434) is 5-bromo-2-methyl-3-phenylsulfanyl-1-benzofuran.
What is the SMILES notation for 5-bromo-2-methyl-3-phenylsulfanyl-1-benzofuran?
The canonical SMILES for 5-bromo-2-methyl-3-phenylsulfanyl-1-benzofuran is Cc1oc2ccc(Br)cc2c1Sc1ccccc1.
What is the InChIKey of 5-bromo-2-methyl-3-phenylsulfanyl-1-benzofuran?
The InChIKey is JXSUDWZDIVVQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrOS/c1-10-15(18-12-5-3-2-4-6-12)13-9-11(16)7-8-14(13)17-10/h2-9H,1H3.
What are the key properties of 5-bromo-2-methyl-3-phenylsulfanyl-1-benzofuran?
5-bromo-2-methyl-3-phenylsulfanyl-1-benzofuran has a molecular weight of 319.22 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-3-phenylsulfanyl-1-benzofuran is sourced from PubChem (CID 90886434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).