2-bromo-1,2-dihydrodibenzothiophene

C12H9BrS — CID 135176935

IUPAC2-bromo-1,2-dihydrodibenzothiophene
SMILESBrC1C=Cc2sc3ccccc3c2C1
InChIInChI=1S/C12H9BrS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-6,8H,7H2
InChIKeyJURZLNQGVSAOGF-UHFFFAOYSA-N
MW265.18 g/mol
LogP4.23
Rot. Bonds

About 2-bromo-1,2-dihydrodibenzothiophene

2-bromo-1,2-dihydrodibenzothiophene (PubChem CID 135176935) has the molecular formula C12H9BrS and a molecular weight of 265.18 g/mol. Its IUPAC name is 2-bromo-1,2-dihydrodibenzothiophene.

Molecular Properties

Compound Name2-bromo-1,2-dihydrodibenzothiophene
PubChem CID135176935
Molecular FormulaC12H9BrS
Molecular Weight265.18 g/mol
Exact Mass263.96
IUPAC Name2-bromo-1,2-dihydrodibenzothiophene
SMILESBrC1C=Cc2sc3ccccc3c2C1
InChIInChI=1S/C12H9BrS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-6,8H,7H2
InChIKeyJURZLNQGVSAOGF-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[10-(5-phenylcyclohexen-1-yl)anthracen-9-yl]-1,2-dihydrodibenzothiophene
CID 155028341
3-bromo-4,9-dihydro-3H-carbazole
CID 66807686
1-bromo-1,2-dihydrodibenzothiophene
CID 139551326
10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,14,16,18-octaene
CID 118650281
13-methyl-8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene
CID 142416250
ethane;8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene
CID 171099983
2-methyl-1H-cyclopenta[b][1]benzothiole
CID 68583963
6-(5-bromocyclohexa-1,3-dien-1-yl)-[1]benzothiolo[3,2-c]quinoline
CID 144984387
(4S)-1,2,3,4-tetrahydrodibenzothiophen-4-amine
CID 81453544
2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166741701
4-methyl-2,3,4,5-tetrahydro-1H-[1]benzothiolo[2,3-d]azepine
CID 164872463
dibenzothiophene;methane
CID 162233710

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,2-dihydrodibenzothiophene?
The IUPAC name of 2-bromo-1,2-dihydrodibenzothiophene (CID 135176935) is 2-bromo-1,2-dihydrodibenzothiophene.
What is the SMILES notation for 2-bromo-1,2-dihydrodibenzothiophene?
The canonical SMILES for 2-bromo-1,2-dihydrodibenzothiophene is BrC1C=Cc2sc3ccccc3c2C1.
What is the InChIKey of 2-bromo-1,2-dihydrodibenzothiophene?
The InChIKey is JURZLNQGVSAOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-6,8H,7H2.
What are the key properties of 2-bromo-1,2-dihydrodibenzothiophene?
2-bromo-1,2-dihydrodibenzothiophene has a molecular weight of 265.18 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,2-dihydrodibenzothiophene is sourced from PubChem (CID 135176935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).