2-(bromomethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene

C8H9BrS — CID 62726946

IUPAC2-(bromomethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene
SMILESBrCc1cc2c(s1)CCC2
InChIInChI=1S/C8H9BrS/c9-5-7-4-6-2-1-3-8(6)10-7/h4H,1-3,5H2
InChIKeyJJYGULMUAXUVLR-UHFFFAOYSA-N
MW217.13 g/mol
LogP3.13
Rot. Bonds1

About 2-(bromomethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene

2-(bromomethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene (PubChem CID 62726946) has the molecular formula C8H9BrS and a molecular weight of 217.13 g/mol. Its IUPAC name is 2-(bromomethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene.

Molecular Properties

Compound Name2-(bromomethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene
PubChem CID62726946
Molecular FormulaC8H9BrS
Molecular Weight217.13 g/mol
Exact Mass215.96
IUPAC Name2-(bromomethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene
SMILESBrCc1cc2c(s1)CCC2
InChIInChI=1S/C8H9BrS/c9-5-7-4-6-2-1-3-8(6)10-7/h4H,1-3,5H2
InChIKeyJJYGULMUAXUVLR-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.13
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 14338032
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-ol
CID 83675076
2-prop-2-ynyl-4,5,6,7-tetrahydro-1-benzothiophene
CID 147453970
4-(bromomethyl)-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole
CID 79154029
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pentan-1-amine
CID 61208352
1-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanesulfonamide
CID 63666222
6-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrimidin-4-amine
CID 106194029
1-cyclopropyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 167637225
N'-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethane-1,2-diamine
CID 113405391
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine
CID 61208159
6-bromo-2-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 116795652
1-(7-bromo-1,3-benzodioxol-5-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine
CID 61209511

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene?
The IUPAC name of 2-(bromomethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene (CID 62726946) is 2-(bromomethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene.
What is the SMILES notation for 2-(bromomethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene?
The canonical SMILES for 2-(bromomethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene is BrCc1cc2c(s1)CCC2.
What is the InChIKey of 2-(bromomethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene?
The InChIKey is JJYGULMUAXUVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrS/c9-5-7-4-6-2-1-3-8(6)10-7/h4H,1-3,5H2.
What are the key properties of 2-(bromomethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene?
2-(bromomethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene has a molecular weight of 217.13 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene is sourced from PubChem (CID 62726946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).