2-(bromomethyl)butylsulfanylcyclopentane

C10H19BrS — CID 65000270

IUPAC2-(bromomethyl)butylsulfanylcyclopentane
SMILESCCC(CBr)CSC1CCCC1
InChIInChI=1S/C10H19BrS/c1-2-9(7-11)8-12-10-5-3-4-6-10/h9-10H,2-8H2,1H3
InChIKeyZIQPFRJQDWYDKZ-UHFFFAOYSA-N
MW251.23 g/mol
LogP4.08
Rot. Bonds5

About 2-(bromomethyl)butylsulfanylcyclopentane

2-(bromomethyl)butylsulfanylcyclopentane (PubChem CID 65000270) has the molecular formula C10H19BrS and a molecular weight of 251.23 g/mol. Its IUPAC name is 2-(bromomethyl)butylsulfanylcyclopentane.

Molecular Properties

Compound Name2-(bromomethyl)butylsulfanylcyclopentane
PubChem CID65000270
Molecular FormulaC10H19BrS
Molecular Weight251.23 g/mol
Exact Mass250.04
IUPAC Name2-(bromomethyl)butylsulfanylcyclopentane
SMILESCCC(CBr)CSC1CCCC1
InChIInChI=1S/C10H19BrS/c1-2-9(7-11)8-12-10-5-3-4-6-10/h9-10H,2-8H2,1H3
InChIKeyZIQPFRJQDWYDKZ-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 54.08
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

4-[2-(bromomethyl)butylsulfanyl]oxane
CID 65000210
1-cyclopentylsulfanyl-N-ethylbutan-2-amine
CID 64628616
1-cyclopentylsulfanylpentan-2-amine
CID 64628608
1-cyclohexylsulfanylpropane-2-thiol
CID 57273341
N,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride
CID 44522691
ethylsulfanylcycloheptane
CID 67666697
2-(bromomethyl)butoxycycloheptane
CID 64995040
2,2-dimethoxyethylsulfanylcyclohexane
CID 66221293
ethylsulfanylcyclohexane;hydrate
CID 154657680
propylsulfanylcyclopentane
CID 534899
(1-bromo-4-ethylhexan-2-yl)cyclopentane
CID 112570638
1-bromo-2-(propylsulfanylmethyl)butane
CID 65000454

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)butylsulfanylcyclopentane?
The IUPAC name of 2-(bromomethyl)butylsulfanylcyclopentane (CID 65000270) is 2-(bromomethyl)butylsulfanylcyclopentane.
What is the SMILES notation for 2-(bromomethyl)butylsulfanylcyclopentane?
The canonical SMILES for 2-(bromomethyl)butylsulfanylcyclopentane is CCC(CBr)CSC1CCCC1.
What is the InChIKey of 2-(bromomethyl)butylsulfanylcyclopentane?
The InChIKey is ZIQPFRJQDWYDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrS/c1-2-9(7-11)8-12-10-5-3-4-6-10/h9-10H,2-8H2,1H3.
What are the key properties of 2-(bromomethyl)butylsulfanylcyclopentane?
2-(bromomethyl)butylsulfanylcyclopentane has a molecular weight of 251.23 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)butylsulfanylcyclopentane is sourced from PubChem (CID 65000270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).