3-bromo-6-methoxydibenzothiophene

C13H9BrOS — CID 166155743

IUPAC3-bromo-6-methoxydibenzothiophene
SMILESCOc1cccc2c1sc1cc(Br)ccc12
InChIInChI=1S/C13H9BrOS/c1-15-11-4-2-3-10-9-6-5-8(14)7-12(9)16-13(10)11/h2-7H,1H3
InChIKeyPKCPSYBHTYRSNN-UHFFFAOYSA-N
MW293.19 g/mol
LogP4.83
Rot. Bonds1

About 3-bromo-6-methoxydibenzothiophene

3-bromo-6-methoxydibenzothiophene (PubChem CID 166155743) has the molecular formula C13H9BrOS and a molecular weight of 293.19 g/mol. Its IUPAC name is 3-bromo-6-methoxydibenzothiophene.

Molecular Properties

Compound Name3-bromo-6-methoxydibenzothiophene
PubChem CID166155743
Molecular FormulaC13H9BrOS
Molecular Weight293.19 g/mol
Exact Mass291.96
IUPAC Name3-bromo-6-methoxydibenzothiophene
SMILESCOc1cccc2c1sc1cc(Br)ccc12
InChIInChI=1S/C13H9BrOS/c1-15-11-4-2-3-10-9-6-5-8(14)7-12(9)16-13(10)11/h2-7H,1H3
InChIKeyPKCPSYBHTYRSNN-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

6-bromo-3-methoxydibenzothiophene
CID 54757061
2-bromo-7-methoxy-1-benzothiophen-3-amine
CID 130798724
2-amino-5-methoxythioxanthen-9-one
CID 89020370
1-(6-bromo-2-methoxynaphthalen-1-yl)cyclopropan-1-amine
CID 84814976
7-bromo-N-(9,9-dimethylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine
CID 129194645
1-[bis(5-bromo-2-methoxyphenyl)methyl]naphthalene
CID 156583433
4-(4-bromo-2-fluorophenyl)dibenzothiophene
CID 126592593
3-bromo-7-(11,11'-spirobi[benzo[a]fluorene]-3'-yl)dibenzothiophene
CID 159086576
3,7-dimethoxy-1-benzothiophene-2-carboxylic acid
CID 83919270
2-bromo-4-fluoro-7-methoxy-1-benzothiophene
CID 83920141
6-bromo-2-methoxynaphthalen-1-amine
CID 54370275
8-bromo-[1]benzothiolo[3,2-b]chromen-11-one
CID 153449992

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methoxydibenzothiophene?
The IUPAC name of 3-bromo-6-methoxydibenzothiophene (CID 166155743) is 3-bromo-6-methoxydibenzothiophene.
What is the SMILES notation for 3-bromo-6-methoxydibenzothiophene?
The canonical SMILES for 3-bromo-6-methoxydibenzothiophene is COc1cccc2c1sc1cc(Br)ccc12.
What is the InChIKey of 3-bromo-6-methoxydibenzothiophene?
The InChIKey is PKCPSYBHTYRSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrOS/c1-15-11-4-2-3-10-9-6-5-8(14)7-12(9)16-13(10)11/h2-7H,1H3.
What are the key properties of 3-bromo-6-methoxydibenzothiophene?
3-bromo-6-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 3-bromo-6-methoxydibenzothiophene is sourced from PubChem (CID 166155743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).