2-[3-(bromomethyl)pentyl]thiophene

C10H15BrS — CID 66043053

IUPAC2-[3-(bromomethyl)pentyl]thiophene
SMILESCCC(CBr)CCc1cccs1
InChIInChI=1S/C10H15BrS/c1-2-9(8-11)5-6-10-4-3-7-12-10/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyOYUNGPOIGIRVKH-UHFFFAOYSA-N
MW247.20 g/mol
LogP4.10
Rot. Bonds5

About 2-[3-(bromomethyl)pentyl]thiophene

2-[3-(bromomethyl)pentyl]thiophene (PubChem CID 66043053) has the molecular formula C10H15BrS and a molecular weight of 247.20 g/mol. Its IUPAC name is 2-[3-(bromomethyl)pentyl]thiophene.

Molecular Properties

Compound Name2-[3-(bromomethyl)pentyl]thiophene
PubChem CID66043053
Molecular FormulaC10H15BrS
Molecular Weight247.20 g/mol
Exact Mass246.01
IUPAC Name2-[3-(bromomethyl)pentyl]thiophene
SMILESCCC(CBr)CCc1cccs1
InChIInChI=1S/C10H15BrS/c1-2-9(8-11)5-6-10-4-3-7-12-10/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyOYUNGPOIGIRVKH-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 54.10
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-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63774088
2-ethyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 63774829
4-ethyl-1-thiophen-2-ylhexan-3-ol
CID 65148531
6-ethyl-1-thiophen-2-yloctan-4-ol
CID 105122585
2-[4-bromo-3-(2-methylphenyl)butyl]thiophene
CID 79418362
2-(aminomethyl)-4-thiophen-2-ylbutan-1-ol
CID 63774699
2-[4-bromo-3-(4-bromophenyl)butyl]thiophene
CID 79434883
5-methyl-1-thiophen-2-ylheptan-3-ol
CID 115800369
ethane;2-pentylthiophene
CID 143883800
N',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079435
2-[2-(chloromethyl)butyl]thiophene
CID 66035000
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642

Frequently Asked Questions

What is the IUPAC name of 2-[3-(bromomethyl)pentyl]thiophene?
The IUPAC name of 2-[3-(bromomethyl)pentyl]thiophene (CID 66043053) is 2-[3-(bromomethyl)pentyl]thiophene.
What is the SMILES notation for 2-[3-(bromomethyl)pentyl]thiophene?
The canonical SMILES for 2-[3-(bromomethyl)pentyl]thiophene is CCC(CBr)CCc1cccs1.
What is the InChIKey of 2-[3-(bromomethyl)pentyl]thiophene?
The InChIKey is OYUNGPOIGIRVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrS/c1-2-9(8-11)5-6-10-4-3-7-12-10/h3-4,7,9H,2,5-6,8H2,1H3.
What are the key properties of 2-[3-(bromomethyl)pentyl]thiophene?
2-[3-(bromomethyl)pentyl]thiophene has a molecular weight of 247.20 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(bromomethyl)pentyl]thiophene is sourced from PubChem (CID 66043053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).