2-(3-bromopropyl)-3-methylthiophene

C8H11BrS — CID 19688419

IUPAC2-(3-bromopropyl)-3-methylthiophene
SMILESCc1ccsc1CCCBr
InChIInChI=1S/C8H11BrS/c1-7-4-6-10-8(7)3-2-5-9/h4,6H,2-3,5H2,1H3
InChIKeyFTKGTMDYKAYGJD-UHFFFAOYSA-N
MW219.15 g/mol
LogP3.38
Rot. Bonds3

About 2-(3-bromopropyl)-3-methylthiophene

2-(3-bromopropyl)-3-methylthiophene (PubChem CID 19688419) has the molecular formula C8H11BrS and a molecular weight of 219.15 g/mol. Its IUPAC name is 2-(3-bromopropyl)-3-methylthiophene.

Molecular Properties

Compound Name2-(3-bromopropyl)-3-methylthiophene
PubChem CID19688419
Molecular FormulaC8H11BrS
Molecular Weight219.15 g/mol
Exact Mass217.98
IUPAC Name2-(3-bromopropyl)-3-methylthiophene
SMILESCc1ccsc1CCCBr
InChIInChI=1S/C8H11BrS/c1-7-4-6-10-8(7)3-2-5-9/h4,6H,2-3,5H2,1H3
InChIKeyFTKGTMDYKAYGJD-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 53.38
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

3-(3-methylthiophen-2-yl)propan-1-ol
CID 55267212
2-(bromomethyl)-3-methylthiophene
CID 18463526
2-hexyl-3-methylthiophene
CID 69043695
2-(3-methylthiophen-2-yl)ethanethiol
CID 55274895
1-(3-methylthiophen-2-yl)heptan-4-one
CID 83929160
2-(3-bromobutyl)-3-methylthiophene
CID 79994830
3-(3-bromopropyl)-2-methylthiophene
CID 102837926
triethoxy-[3-(3-methylthiophen-2-yl)propyl]silane
CID 139649676
methyl-[2-(3-methylthiophen-2-yl)ethyl]cyanamide
CID 117043598
N'-methyl-N'-[2-(3-methylthiophen-2-yl)ethyl]butane-1,4-diamine
CID 115201578
4-(3-methylthiophen-2-yl)butan-2-one
CID 11041114
3-[2-(3-methylthiophen-2-yl)ethylamino]propane-1-thiol
CID 115225201

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropyl)-3-methylthiophene?
The IUPAC name of 2-(3-bromopropyl)-3-methylthiophene (CID 19688419) is 2-(3-bromopropyl)-3-methylthiophene.
What is the SMILES notation for 2-(3-bromopropyl)-3-methylthiophene?
The canonical SMILES for 2-(3-bromopropyl)-3-methylthiophene is Cc1ccsc1CCCBr.
What is the InChIKey of 2-(3-bromopropyl)-3-methylthiophene?
The InChIKey is FTKGTMDYKAYGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrS/c1-7-4-6-10-8(7)3-2-5-9/h4,6H,2-3,5H2,1H3.
What are the key properties of 2-(3-bromopropyl)-3-methylthiophene?
2-(3-bromopropyl)-3-methylthiophene has a molecular weight of 219.15 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropyl)-3-methylthiophene is sourced from PubChem (CID 19688419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).