2-bromo-3-methyl-3,4-dihydrodibenzothiophene

C13H11BrS — CID 146554864

IUPAC2-bromo-3-methyl-3,4-dihydrodibenzothiophene
SMILESCC1Cc2sc3ccccc3c2C=C1Br
InChIInChI=1S/C13H11BrS/c1-8-6-13-10(7-11(8)14)9-4-2-3-5-12(9)15-13/h2-5,7-8H,6H2,1H3
InChIKeySOFASMDXAMWLIE-UHFFFAOYSA-N
MW279.20 g/mol
LogP4.83
Rot. Bonds

About 2-bromo-3-methyl-3,4-dihydrodibenzothiophene

2-bromo-3-methyl-3,4-dihydrodibenzothiophene (PubChem CID 146554864) has the molecular formula C13H11BrS and a molecular weight of 279.20 g/mol. Its IUPAC name is 2-bromo-3-methyl-3,4-dihydrodibenzothiophene.

Molecular Properties

Compound Name2-bromo-3-methyl-3,4-dihydrodibenzothiophene
PubChem CID146554864
Molecular FormulaC13H11BrS
Molecular Weight279.20 g/mol
Exact Mass277.98
IUPAC Name2-bromo-3-methyl-3,4-dihydrodibenzothiophene
SMILESCC1Cc2sc3ccccc3c2C=C1Br
InChIInChI=1S/C13H11BrS/c1-8-6-13-10(7-11(8)14)9-4-2-3-5-12(9)15-13/h2-5,7-8H,6H2,1H3
InChIKeySOFASMDXAMWLIE-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-3,4-dihydrodibenzothiophene?
The IUPAC name of 2-bromo-3-methyl-3,4-dihydrodibenzothiophene (CID 146554864) is 2-bromo-3-methyl-3,4-dihydrodibenzothiophene.
What is the SMILES notation for 2-bromo-3-methyl-3,4-dihydrodibenzothiophene?
The canonical SMILES for 2-bromo-3-methyl-3,4-dihydrodibenzothiophene is CC1Cc2sc3ccccc3c2C=C1Br.
What is the InChIKey of 2-bromo-3-methyl-3,4-dihydrodibenzothiophene?
The InChIKey is SOFASMDXAMWLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrS/c1-8-6-13-10(7-11(8)14)9-4-2-3-5-12(9)15-13/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-bromo-3-methyl-3,4-dihydrodibenzothiophene?
2-bromo-3-methyl-3,4-dihydrodibenzothiophene has a molecular weight of 279.20 g/mol, XLogP of 4.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-3,4-dihydrodibenzothiophene is sourced from PubChem (CID 146554864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).