3-bromo-1-methylsulfanyldibenzofuran

C13H9BrOS — CID 19887832

IUPAC3-bromo-1-methylsulfanyldibenzofuran
SMILESCSc1cc(Br)cc2oc3ccccc3c12
InChIInChI=1S/C13H9BrOS/c1-16-12-7-8(14)6-11-13(12)9-4-2-3-5-10(9)15-11/h2-7H,1H3
InChIKeyCYVCIHDCSFEHKO-UHFFFAOYSA-N
MW293.19 g/mol
LogP5.07
Rot. Bonds1

About 3-bromo-1-methylsulfanyldibenzofuran

3-bromo-1-methylsulfanyldibenzofuran (PubChem CID 19887832) has the molecular formula C13H9BrOS and a molecular weight of 293.19 g/mol. Its IUPAC name is 3-bromo-1-methylsulfanyldibenzofuran.

Molecular Properties

Compound Name3-bromo-1-methylsulfanyldibenzofuran
PubChem CID19887832
Molecular FormulaC13H9BrOS
Molecular Weight293.19 g/mol
Exact Mass291.96
IUPAC Name3-bromo-1-methylsulfanyldibenzofuran
SMILESCSc1cc(Br)cc2oc3ccccc3c12
InChIInChI=1S/C13H9BrOS/c1-16-12-7-8(14)6-11-13(12)9-4-2-3-5-10(9)15-11/h2-7H,1H3
InChIKeyCYVCIHDCSFEHKO-UHFFFAOYSA-N
XLogP5.07
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.19
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran
CID 147609065
5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran
CID 118616071
5,9-dibromonaphtho[2,1-b][1]benzofuran
CID 90263899
11-methyl-8-oxatetracyclo[7.6.0.02,7.012,15]pentadeca-1(9),2,4,6,10,12(15)-hexaene-13,14-dione
CID 10728490
3-bromo-1,2-bis(ethenyl)dibenzofuran
CID 145377478
1-(4-bromophenyl)-3-phenyldibenzofuran
CID 135295838
12-bromo-7H-[1]benzofuro[2,3-b]carbazole
CID 146019056
1,3-di(propan-2-yl)dibenzofuran-4-amine
CID 58400957
1,4-dimethyl-3-propan-2-yldibenzofuran
CID 144782637
dibenzofuran;hydrate
CID 70610865
dibenzofuran;hydrofluoride
CID 158307405
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methylsulfanyldibenzofuran?
The IUPAC name of 3-bromo-1-methylsulfanyldibenzofuran (CID 19887832) is 3-bromo-1-methylsulfanyldibenzofuran.
What is the SMILES notation for 3-bromo-1-methylsulfanyldibenzofuran?
The canonical SMILES for 3-bromo-1-methylsulfanyldibenzofuran is CSc1cc(Br)cc2oc3ccccc3c12.
What is the InChIKey of 3-bromo-1-methylsulfanyldibenzofuran?
The InChIKey is CYVCIHDCSFEHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrOS/c1-16-12-7-8(14)6-11-13(12)9-4-2-3-5-10(9)15-11/h2-7H,1H3.
What are the key properties of 3-bromo-1-methylsulfanyldibenzofuran?
3-bromo-1-methylsulfanyldibenzofuran has a molecular weight of 293.19 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methylsulfanyldibenzofuran is sourced from PubChem (CID 19887832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).