2-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]thiophene

C11H15BrS2 — CID 65001558

IUPAC2-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]thiophene
SMILESBrCC1(CSc2cccs2)CCCC1
InChIInChI=1S/C11H15BrS2/c12-8-11(5-1-2-6-11)9-14-10-4-3-7-13-10/h3-4,7H,1-2,5-6,8-9H2
InChIKeyBEOCMNJUGHYZKU-UHFFFAOYSA-N
MW291.28 g/mol
LogP4.80
Rot. Bonds4

About 2-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]thiophene

2-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]thiophene (PubChem CID 65001558) has the molecular formula C11H15BrS2 and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]thiophene.

Molecular Properties

Compound Name2-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]thiophene
PubChem CID65001558
Molecular FormulaC11H15BrS2
Molecular Weight291.28 g/mol
Exact Mass289.98
IUPAC Name2-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]thiophene
SMILESBrCC1(CSc2cccs2)CCCC1
InChIInChI=1S/C11H15BrS2/c12-8-11(5-1-2-6-11)9-14-10-4-3-7-13-10/h3-4,7H,1-2,5-6,8-9H2
InChIKeyBEOCMNJUGHYZKU-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]thiophene?
The IUPAC name of 2-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]thiophene (CID 65001558) is 2-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]thiophene.
What is the SMILES notation for 2-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]thiophene?
The canonical SMILES for 2-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]thiophene is BrCC1(CSc2cccs2)CCCC1.
What is the InChIKey of 2-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]thiophene?
The InChIKey is BEOCMNJUGHYZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrS2/c12-8-11(5-1-2-6-11)9-14-10-4-3-7-13-10/h3-4,7H,1-2,5-6,8-9H2.
What are the key properties of 2-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]thiophene?
2-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]thiophene has a molecular weight of 291.28 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]thiophene is sourced from PubChem (CID 65001558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).