1-bromo-5,5-dimethyldibenzothiophene

C14H13BrS — CID 139447500

IUPAC1-bromo-5,5-dimethyldibenzothiophene
SMILESCS1(C)c2ccccc2-c2c(Br)cccc21
InChIInChI=1S/C14H13BrS/c1-16(2)12-8-4-3-6-10(12)14-11(15)7-5-9-13(14)16/h3-9H,1-2H3
InChIKeyAVGNAYXZEJNFJB-UHFFFAOYSA-N
MW293.23 g/mol
LogP4.91
Rot. Bonds

About 1-bromo-5,5-dimethyldibenzothiophene

1-bromo-5,5-dimethyldibenzothiophene (PubChem CID 139447500) has the molecular formula C14H13BrS and a molecular weight of 293.23 g/mol. Its IUPAC name is 1-bromo-5,5-dimethyldibenzothiophene.

Molecular Properties

Compound Name1-bromo-5,5-dimethyldibenzothiophene
PubChem CID139447500
Molecular FormulaC14H13BrS
Molecular Weight293.23 g/mol
Exact Mass291.99
IUPAC Name1-bromo-5,5-dimethyldibenzothiophene
SMILESCS1(C)c2ccccc2-c2c(Br)cccc21
InChIInChI=1S/C14H13BrS/c1-16(2)12-8-4-3-6-10(12)14-11(15)7-5-9-13(14)16/h3-9H,1-2H3
InChIKeyAVGNAYXZEJNFJB-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-bromo-2-(2-bromophenyl)-3-tert-butylbenzene
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CID 14113190
1,2,4-tribromo-3-(2,3-dibromophenyl)benzene
CID 90479445
6-bromobenzo[k]fluoranthene
CID 86073860
7-bromo-6H-benzo[c][1,2]benzothiazine 5,5-dioxide
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4-bromo-2-(2-methylphenyl)isoindole-1,3-dione
CID 169336941
(NE)-N-(1-bromofluoren-9-ylidene)hydroxylamine
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4-bromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 121391692

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5,5-dimethyldibenzothiophene?
The IUPAC name of 1-bromo-5,5-dimethyldibenzothiophene (CID 139447500) is 1-bromo-5,5-dimethyldibenzothiophene.
What is the SMILES notation for 1-bromo-5,5-dimethyldibenzothiophene?
The canonical SMILES for 1-bromo-5,5-dimethyldibenzothiophene is CS1(C)c2ccccc2-c2c(Br)cccc21.
What is the InChIKey of 1-bromo-5,5-dimethyldibenzothiophene?
The InChIKey is AVGNAYXZEJNFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrS/c1-16(2)12-8-4-3-6-10(12)14-11(15)7-5-9-13(14)16/h3-9H,1-2H3.
What are the key properties of 1-bromo-5,5-dimethyldibenzothiophene?
1-bromo-5,5-dimethyldibenzothiophene has a molecular weight of 293.23 g/mol, XLogP of 4.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5,5-dimethyldibenzothiophene is sourced from PubChem (CID 139447500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).