6-bromo-2,3,5-trimethyl-1-benzothiophene

C11H11BrS — CID 3012973

IUPAC6-bromo-2,3,5-trimethyl-1-benzothiophene
SMILESCc1cc2c(C)c(C)sc2cc1Br
InChIInChI=1S/C11H11BrS/c1-6-4-9-7(2)8(3)13-11(9)5-10(6)12/h4-5H,1-3H3
InChIKeyWWQLVACPBPTTNJ-UHFFFAOYSA-N
MW255.18 g/mol
LogP4.59
Rot. Bonds

About 6-bromo-2,3,5-trimethyl-1-benzothiophene

6-bromo-2,3,5-trimethyl-1-benzothiophene (PubChem CID 3012973) has the molecular formula C11H11BrS and a molecular weight of 255.18 g/mol. Its IUPAC name is 6-bromo-2,3,5-trimethyl-1-benzothiophene.

Molecular Properties

Compound Name6-bromo-2,3,5-trimethyl-1-benzothiophene
PubChem CID3012973
Molecular FormulaC11H11BrS
Molecular Weight255.18 g/mol
Exact Mass253.98
IUPAC Name6-bromo-2,3,5-trimethyl-1-benzothiophene
SMILESCc1cc2c(C)c(C)sc2cc1Br
InChIInChI=1S/C11H11BrS/c1-6-4-9-7(2)8(3)13-11(9)5-10(6)12/h4-5H,1-3H3
InChIKeyWWQLVACPBPTTNJ-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.18
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3,5-trimethyl-1-benzothiophene?
The IUPAC name of 6-bromo-2,3,5-trimethyl-1-benzothiophene (CID 3012973) is 6-bromo-2,3,5-trimethyl-1-benzothiophene.
What is the SMILES notation for 6-bromo-2,3,5-trimethyl-1-benzothiophene?
The canonical SMILES for 6-bromo-2,3,5-trimethyl-1-benzothiophene is Cc1cc2c(C)c(C)sc2cc1Br.
What is the InChIKey of 6-bromo-2,3,5-trimethyl-1-benzothiophene?
The InChIKey is WWQLVACPBPTTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrS/c1-6-4-9-7(2)8(3)13-11(9)5-10(6)12/h4-5H,1-3H3.
What are the key properties of 6-bromo-2,3,5-trimethyl-1-benzothiophene?
6-bromo-2,3,5-trimethyl-1-benzothiophene has a molecular weight of 255.18 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3,5-trimethyl-1-benzothiophene is sourced from PubChem (CID 3012973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).