3-bromo-5-methyl-2H-cyclopenta[b]thiophene

C8H7BrS — CID 87161978

IUPAC3-bromo-5-methyl-2H-cyclopenta[b]thiophene
SMILESCC1=CC2=C(Br)CSC2=C1
InChIInChI=1S/C8H7BrS/c1-5-2-6-7(9)4-10-8(6)3-5/h2-3H,4H2,1H3
InChIKeyOSKLISLSRNHLIV-UHFFFAOYSA-N
MW215.11 g/mol
LogP3.23
Rot. Bonds

About 3-bromo-5-methyl-2H-cyclopenta[b]thiophene

3-bromo-5-methyl-2H-cyclopenta[b]thiophene (PubChem CID 87161978) has the molecular formula C8H7BrS and a molecular weight of 215.11 g/mol. Its IUPAC name is 3-bromo-5-methyl-2H-cyclopenta[b]thiophene.

Molecular Properties

Compound Name3-bromo-5-methyl-2H-cyclopenta[b]thiophene
PubChem CID87161978
Molecular FormulaC8H7BrS
Molecular Weight215.11 g/mol
Exact Mass213.95
IUPAC Name3-bromo-5-methyl-2H-cyclopenta[b]thiophene
SMILESCC1=CC2=C(Br)CSC2=C1
InChIInChI=1S/C8H7BrS/c1-5-2-6-7(9)4-10-8(6)3-5/h2-3H,4H2,1H3
InChIKeyOSKLISLSRNHLIV-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.11
LogP ≤ 53.23
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-2H-cyclopenta[b]thiophene?
The IUPAC name of 3-bromo-5-methyl-2H-cyclopenta[b]thiophene (CID 87161978) is 3-bromo-5-methyl-2H-cyclopenta[b]thiophene.
What is the SMILES notation for 3-bromo-5-methyl-2H-cyclopenta[b]thiophene?
The canonical SMILES for 3-bromo-5-methyl-2H-cyclopenta[b]thiophene is CC1=CC2=C(Br)CSC2=C1.
What is the InChIKey of 3-bromo-5-methyl-2H-cyclopenta[b]thiophene?
The InChIKey is OSKLISLSRNHLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrS/c1-5-2-6-7(9)4-10-8(6)3-5/h2-3H,4H2,1H3.
What are the key properties of 3-bromo-5-methyl-2H-cyclopenta[b]thiophene?
3-bromo-5-methyl-2H-cyclopenta[b]thiophene has a molecular weight of 215.11 g/mol, XLogP of 3.23, 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-2H-cyclopenta[b]thiophene is sourced from PubChem (CID 87161978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).