6-bromo-3-methoxydibenzothiophene

C13H9BrOS — CID 54757061

IUPAC6-bromo-3-methoxydibenzothiophene
SMILESCOc1ccc2c(c1)sc1c(Br)cccc12
InChIInChI=1S/C13H9BrOS/c1-15-8-5-6-9-10-3-2-4-11(14)13(10)16-12(9)7-8/h2-7H,1H3
InChIKeyVRASAXQNQFJTMA-UHFFFAOYSA-N
MW293.19 g/mol
LogP4.83
Rot. Bonds1

About 6-bromo-3-methoxydibenzothiophene

6-bromo-3-methoxydibenzothiophene (PubChem CID 54757061) has the molecular formula C13H9BrOS and a molecular weight of 293.19 g/mol. Its IUPAC name is 6-bromo-3-methoxydibenzothiophene.

Molecular Properties

Compound Name6-bromo-3-methoxydibenzothiophene
PubChem CID54757061
Molecular FormulaC13H9BrOS
Molecular Weight293.19 g/mol
Exact Mass291.96
IUPAC Name6-bromo-3-methoxydibenzothiophene
SMILESCOc1ccc2c(c1)sc1c(Br)cccc12
InChIInChI=1S/C13H9BrOS/c1-15-8-5-6-9-10-3-2-4-11(14)13(10)16-12(9)7-8/h2-7H,1H3
InChIKeyVRASAXQNQFJTMA-UHFFFAOYSA-N
XLogP4.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-6-methoxydibenzothiophene
CID 166155743
9-methoxy-[1]benzothiolo[3,2-c]chromen-6-one
CID 54450197
7-bromo-2-methoxy-3-methyl-1-benzothiophene
CID 130914555
4-(4-methoxyphenyl)dibenzothiophene
CID 138456987
2,7-bis(4-methoxyphenyl)-[1]benzothiolo[3,2-b][1]benzothiole
CID 126549760
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
8-methoxy-1-methyl-1,2-dihydroindeno[4,5-b][1]benzothiol-3-one
CID 22004765
7,17-dimethoxy-12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene
CID 135231094
7-bromo-2-methoxy-3-methylsulfanyl-1-benzothiophene
CID 130985434
7-bromo-3-(chloromethyl)-2-methoxy-1-benzothiophene
CID 130839726
3-bromo-2,5-dimethoxy-1-benzothiophene
CID 130866034
20-methoxy-6-methyl-9,23-dithia-1-azaheptacyclo[13.9.1.02,10.03,8.011,25.016,24.017,22]pentacosa-2(10),3(8),4,6,11,13,15(25),16(24),17(22),18,20-undecaene
CID 167615178

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methoxydibenzothiophene?
The IUPAC name of 6-bromo-3-methoxydibenzothiophene (CID 54757061) is 6-bromo-3-methoxydibenzothiophene.
What is the SMILES notation for 6-bromo-3-methoxydibenzothiophene?
The canonical SMILES for 6-bromo-3-methoxydibenzothiophene is COc1ccc2c(c1)sc1c(Br)cccc12.
What is the InChIKey of 6-bromo-3-methoxydibenzothiophene?
The InChIKey is VRASAXQNQFJTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrOS/c1-15-8-5-6-9-10-3-2-4-11(14)13(10)16-12(9)7-8/h2-7H,1H3.
What are the key properties of 6-bromo-3-methoxydibenzothiophene?
6-bromo-3-methoxydibenzothiophene has a molecular weight of 293.19 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methoxydibenzothiophene is sourced from PubChem (CID 54757061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).