5-bromo-2-(methylsulfanylmethyl)-1-benzofuran

C10H9BrOS — CID 117176006

IUPAC5-bromo-2-(methylsulfanylmethyl)-1-benzofuran
SMILESCSCc1cc2cc(Br)ccc2o1
InChIInChI=1S/C10H9BrOS/c1-13-6-9-5-7-4-8(11)2-3-10(7)12-9/h2-5H,6H2,1H3
InChIKeyYYXOYTREDJQVSI-UHFFFAOYSA-N
MW257.15 g/mol
LogP4.06
Rot. Bonds2

About 5-bromo-2-(methylsulfanylmethyl)-1-benzofuran

5-bromo-2-(methylsulfanylmethyl)-1-benzofuran (PubChem CID 117176006) has the molecular formula C10H9BrOS and a molecular weight of 257.15 g/mol. Its IUPAC name is 5-bromo-2-(methylsulfanylmethyl)-1-benzofuran.

Molecular Properties

Compound Name5-bromo-2-(methylsulfanylmethyl)-1-benzofuran
PubChem CID117176006
Molecular FormulaC10H9BrOS
Molecular Weight257.15 g/mol
Exact Mass255.96
IUPAC Name5-bromo-2-(methylsulfanylmethyl)-1-benzofuran
SMILESCSCc1cc2cc(Br)ccc2o1
InChIInChI=1S/C10H9BrOS/c1-13-6-9-5-7-4-8(11)2-3-10(7)12-9/h2-5H,6H2,1H3
InChIKeyYYXOYTREDJQVSI-UHFFFAOYSA-N
XLogP4.06
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.15
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylsulfanylmethyl)-1-benzofuran-5-ol
CID 117175988
5-bromo-2-(ethylsulfonylmethyl)-1-benzofuran
CID 117175888
(5-bromo-1-benzofuran-2-yl)methanol;5-bromo-2-fluoro-1-benzofuran
CID 165028818
1-[(5-bromo-1-benzofuran-2-yl)methyl]-3-(fluoromethyl)azetidine;ethane
CID 177232062
5-bromo-2-[(2,5-dichlorophenyl)methyl]-1-benzofuran
CID 13004045
2-(propan-2-ylsulfanylmethyl)-1-benzofuran-5-ol
CID 117175993
5-bromo-2-(1-bromoethyl)-1-benzofuran
CID 43141444
6-bromo-3-ethylchromen-2-one
CID 53243812
5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethynyl]-1-benzofuran
CID 18624240
5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethenyl]-1-benzofuran
CID 70167024
1-(5-bromo-1-benzofuran-2-yl)ethanol
CID 11276522
6-bromo-3-methylchromen-2-one
CID 14956088

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methylsulfanylmethyl)-1-benzofuran?
The IUPAC name of 5-bromo-2-(methylsulfanylmethyl)-1-benzofuran (CID 117176006) is 5-bromo-2-(methylsulfanylmethyl)-1-benzofuran.
What is the SMILES notation for 5-bromo-2-(methylsulfanylmethyl)-1-benzofuran?
The canonical SMILES for 5-bromo-2-(methylsulfanylmethyl)-1-benzofuran is CSCc1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-2-(methylsulfanylmethyl)-1-benzofuran?
The InChIKey is YYXOYTREDJQVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrOS/c1-13-6-9-5-7-4-8(11)2-3-10(7)12-9/h2-5H,6H2,1H3.
What are the key properties of 5-bromo-2-(methylsulfanylmethyl)-1-benzofuran?
5-bromo-2-(methylsulfanylmethyl)-1-benzofuran has a molecular weight of 257.15 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(methylsulfanylmethyl)-1-benzofuran is sourced from PubChem (CID 117176006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).