3-bromo-5-methyl-6H-cyclopenta[b]thiophene

C8H7BrS — CID 58897778

IUPAC3-bromo-5-methyl-6H-cyclopenta[b]thiophene
SMILESCC1=Cc2c(Br)csc2C1
InChIInChI=1S/C8H7BrS/c1-5-2-6-7(9)4-10-8(6)3-5/h2,4H,3H2,1H3
InChIKeyJLHJUKLSFGAYPE-UHFFFAOYSA-N
MW215.12 g/mol
LogP3.47
Rot. Bonds

About 3-bromo-5-methyl-6H-cyclopenta[b]thiophene

3-bromo-5-methyl-6H-cyclopenta[b]thiophene (PubChem CID 58897778) has the molecular formula C8H7BrS and a molecular weight of 215.12 g/mol. Its IUPAC name is 3-bromo-5-methyl-6H-cyclopenta[b]thiophene.

Molecular Properties

Compound Name3-bromo-5-methyl-6H-cyclopenta[b]thiophene
PubChem CID58897778
Molecular FormulaC8H7BrS
Molecular Weight215.12 g/mol
Exact Mass213.95
IUPAC Name3-bromo-5-methyl-6H-cyclopenta[b]thiophene
SMILESCC1=Cc2c(Br)csc2C1
InChIInChI=1S/C8H7BrS/c1-5-2-6-7(9)4-10-8(6)3-5/h2,4H,3H2,1H3
InChIKeyJLHJUKLSFGAYPE-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.12
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-6H-cyclopenta[b]thiophene?
The IUPAC name of 3-bromo-5-methyl-6H-cyclopenta[b]thiophene (CID 58897778) is 3-bromo-5-methyl-6H-cyclopenta[b]thiophene.
What is the SMILES notation for 3-bromo-5-methyl-6H-cyclopenta[b]thiophene?
The canonical SMILES for 3-bromo-5-methyl-6H-cyclopenta[b]thiophene is CC1=Cc2c(Br)csc2C1.
What is the InChIKey of 3-bromo-5-methyl-6H-cyclopenta[b]thiophene?
The InChIKey is JLHJUKLSFGAYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrS/c1-5-2-6-7(9)4-10-8(6)3-5/h2,4H,3H2,1H3.
What are the key properties of 3-bromo-5-methyl-6H-cyclopenta[b]thiophene?
3-bromo-5-methyl-6H-cyclopenta[b]thiophene has a molecular weight of 215.12 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-6H-cyclopenta[b]thiophene is sourced from PubChem (CID 58897778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).