2-[2,2-bis(bromomethyl)butyl]thiophene

C10H14Br2S — CID 79456515

IUPAC2-[2,2-bis(bromomethyl)butyl]thiophene
SMILESCCC(CBr)(CBr)Cc1cccs1
InChIInChI=1S/C10H14Br2S/c1-2-10(7-11,8-12)6-9-4-3-5-13-9/h3-5H,2,6-8H2,1H3
InChIKeyLAIASQDTZDFPKO-UHFFFAOYSA-N
MW326.10 g/mol
LogP4.48
Rot. Bonds5

About 2-[2,2-bis(bromomethyl)butyl]thiophene

2-[2,2-bis(bromomethyl)butyl]thiophene (PubChem CID 79456515) has the molecular formula C10H14Br2S and a molecular weight of 326.10 g/mol. Its IUPAC name is 2-[2,2-bis(bromomethyl)butyl]thiophene.

Molecular Properties

Compound Name2-[2,2-bis(bromomethyl)butyl]thiophene
PubChem CID79456515
Molecular FormulaC10H14Br2S
Molecular Weight326.10 g/mol
Exact Mass323.92
IUPAC Name2-[2,2-bis(bromomethyl)butyl]thiophene
SMILESCCC(CBr)(CBr)Cc1cccs1
InChIInChI=1S/C10H14Br2S/c1-2-10(7-11,8-12)6-9-4-3-5-13-9/h3-5H,2,6-8H2,1H3
InChIKeyLAIASQDTZDFPKO-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.10
LogP ≤ 54.48
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-2-(thiophen-2-ylmethyl)hexan-1-amine
CID 62725494
N-[2-(bromomethyl)-2-ethylbutyl]-2-thiophen-2-ylacetamide
CID 106255533
N-[2-ethyl-2-(thiophen-2-ylmethyl)butyl]cyclopropanamine
CID 62723656
2-[2-(bromomethyl)-2-ethylbutyl]sulfanylthiophene
CID 64998800
2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683
N-[2-(bromomethyl)-2-ethylbutyl]-4-thiophen-2-ylbutanamide
CID 114164697
2-(bromomethyl)thiophene
CID 11829978
2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine
CID 55197007
N,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 62725876
2-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]butan-1-ol
CID 55055329
2-(2,2-difluoro-2-iodoethyl)thiophene
CID 175168405
N-methyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 55107089

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(bromomethyl)butyl]thiophene?
The IUPAC name of 2-[2,2-bis(bromomethyl)butyl]thiophene (CID 79456515) is 2-[2,2-bis(bromomethyl)butyl]thiophene.
What is the SMILES notation for 2-[2,2-bis(bromomethyl)butyl]thiophene?
The canonical SMILES for 2-[2,2-bis(bromomethyl)butyl]thiophene is CCC(CBr)(CBr)Cc1cccs1.
What is the InChIKey of 2-[2,2-bis(bromomethyl)butyl]thiophene?
The InChIKey is LAIASQDTZDFPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2S/c1-2-10(7-11,8-12)6-9-4-3-5-13-9/h3-5H,2,6-8H2,1H3.
What are the key properties of 2-[2,2-bis(bromomethyl)butyl]thiophene?
2-[2,2-bis(bromomethyl)butyl]thiophene has a molecular weight of 326.10 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(bromomethyl)butyl]thiophene is sourced from PubChem (CID 79456515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).