3-[3-bromo-2-(bromomethyl)-2-methylpropyl]thiophene

C9H12Br2S — CID 79453790

IUPAC3-[3-bromo-2-(bromomethyl)-2-methylpropyl]thiophene
SMILESCC(CBr)(CBr)Cc1ccsc1
InChIInChI=1S/C9H12Br2S/c1-9(6-10,7-11)4-8-2-3-12-5-8/h2-3,5H,4,6-7H2,1H3
InChIKeyHFTBQHMYZPNJQF-UHFFFAOYSA-N
MW312.07 g/mol
LogP4.09
Rot. Bonds4

About 3-[3-bromo-2-(bromomethyl)-2-methylpropyl]thiophene

3-[3-bromo-2-(bromomethyl)-2-methylpropyl]thiophene (PubChem CID 79453790) has the molecular formula C9H12Br2S and a molecular weight of 312.07 g/mol. Its IUPAC name is 3-[3-bromo-2-(bromomethyl)-2-methylpropyl]thiophene.

Molecular Properties

Compound Name3-[3-bromo-2-(bromomethyl)-2-methylpropyl]thiophene
PubChem CID79453790
Molecular FormulaC9H12Br2S
Molecular Weight312.07 g/mol
Exact Mass309.90
IUPAC Name3-[3-bromo-2-(bromomethyl)-2-methylpropyl]thiophene
SMILESCC(CBr)(CBr)Cc1ccsc1
InChIInChI=1S/C9H12Br2S/c1-9(6-10,7-11)4-8-2-3-12-5-8/h2-3,5H,4,6-7H2,1H3
InChIKeyHFTBQHMYZPNJQF-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.07
LogP ≤ 54.09
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-[2-(bromomethyl)-2-ethylbutyl]thiophene
CID 66050912
2-methyl-2-(thiophen-3-ylmethyl)butan-1-amine
CID 62723704
3-[2,2-bis(bromomethyl)-4-methylpentyl]thiophene
CID 79453120
3-[3-(bromomethyl)-3-methylpent-4-enyl]thiophene
CID 102642270
2-methyl-3-(thiophen-3-ylmethyl)pentan-3-amine
CID 62622769
2-(4-bromophenyl)-1-thiophen-3-ylpropan-2-amine
CID 62622195
N-tert-butyl-2,2-dimethyl-3-thiophen-3-ylpropan-1-amine
CID 62724141
2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol
CID 66038642
2-(2-fluorophenyl)-1-thiophen-3-ylpropan-2-ol
CID 65144889
azane;3-propylthiophene
CID 174446539
3-(6,6-dimethylheptyl)thiophene
CID 174801737
3-(6-bromohexyl)thiophene
CID 11447992

Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-2-(bromomethyl)-2-methylpropyl]thiophene?
The IUPAC name of 3-[3-bromo-2-(bromomethyl)-2-methylpropyl]thiophene (CID 79453790) is 3-[3-bromo-2-(bromomethyl)-2-methylpropyl]thiophene.
What is the SMILES notation for 3-[3-bromo-2-(bromomethyl)-2-methylpropyl]thiophene?
The canonical SMILES for 3-[3-bromo-2-(bromomethyl)-2-methylpropyl]thiophene is CC(CBr)(CBr)Cc1ccsc1.
What is the InChIKey of 3-[3-bromo-2-(bromomethyl)-2-methylpropyl]thiophene?
The InChIKey is HFTBQHMYZPNJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br2S/c1-9(6-10,7-11)4-8-2-3-12-5-8/h2-3,5H,4,6-7H2,1H3.
What are the key properties of 3-[3-bromo-2-(bromomethyl)-2-methylpropyl]thiophene?
3-[3-bromo-2-(bromomethyl)-2-methylpropyl]thiophene has a molecular weight of 312.07 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-2-(bromomethyl)-2-methylpropyl]thiophene is sourced from PubChem (CID 79453790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).