3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene

C7H7BrS — CID 71670901

IUPAC3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene
SMILESBrc1csc2c1CCC2
InChIInChI=1S/C7H7BrS/c8-6-4-9-7-3-1-2-5(6)7/h4H,1-3H2
InChIKeyVQZKWTNTQNGNTH-UHFFFAOYSA-N
MW203.10 g/mol
LogP3.00
Rot. Bonds

About 3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene

3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene (PubChem CID 71670901) has the molecular formula C7H7BrS and a molecular weight of 203.10 g/mol. Its IUPAC name is 3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene.

Molecular Properties

Compound Name3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene
PubChem CID71670901
Molecular FormulaC7H7BrS
Molecular Weight203.10 g/mol
Exact Mass201.95
IUPAC Name3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene
SMILESBrc1csc2c1CCC2
InChIInChI=1S/C7H7BrS/c8-6-4-9-7-3-1-2-5(6)7/h4H,1-3H2
InChIKeyVQZKWTNTQNGNTH-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.10
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene?
The IUPAC name of 3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene (CID 71670901) is 3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene.
What is the SMILES notation for 3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene?
The canonical SMILES for 3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene is Brc1csc2c1CCC2.
What is the InChIKey of 3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene?
The InChIKey is VQZKWTNTQNGNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrS/c8-6-4-9-7-3-1-2-5(6)7/h4H,1-3H2.
What are the key properties of 3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene?
3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene has a molecular weight of 203.10 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene is sourced from PubChem (CID 71670901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).