3-bromo-5-(4-bromo-2-methylbutan-2-yl)-2-methylthiophene

C10H14Br2S — CID 102838828

IUPAC3-bromo-5-(4-bromo-2-methylbutan-2-yl)-2-methylthiophene
SMILESCc1sc(C(C)(C)CCBr)cc1Br
InChIInChI=1S/C10H14Br2S/c1-7-8(12)6-9(13-7)10(2,3)4-5-11/h6H,4-5H2,1-3H3
InChIKeyHFOXYAYVGPFIIV-UHFFFAOYSA-N
MW326.10 g/mol
LogP4.88
Rot. Bonds3

About 3-bromo-5-(4-bromo-2-methylbutan-2-yl)-2-methylthiophene

3-bromo-5-(4-bromo-2-methylbutan-2-yl)-2-methylthiophene (PubChem CID 102838828) has the molecular formula C10H14Br2S and a molecular weight of 326.10 g/mol. Its IUPAC name is 3-bromo-5-(4-bromo-2-methylbutan-2-yl)-2-methylthiophene.

Molecular Properties

Compound Name3-bromo-5-(4-bromo-2-methylbutan-2-yl)-2-methylthiophene
PubChem CID102838828
Molecular FormulaC10H14Br2S
Molecular Weight326.10 g/mol
Exact Mass323.92
IUPAC Name3-bromo-5-(4-bromo-2-methylbutan-2-yl)-2-methylthiophene
SMILESCc1sc(C(C)(C)CCBr)cc1Br
InChIInChI=1S/C10H14Br2S/c1-7-8(12)6-9(13-7)10(2,3)4-5-11/h6H,4-5H2,1-3H3
InChIKeyHFOXYAYVGPFIIV-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.10
LogP ≤ 54.88
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-(4-bromo-5-methylthiophen-2-yl)-3-methylbutan-1-amine
CID 102838799
3-(4-bromo-5-methylthiophen-2-yl)-N,3-dimethylbutan-1-amine
CID 102838797
3-(4,5-dibromothiophen-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 80534974
3-(4-bromo-5-chlorothiophen-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 102838807
3-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 79990859
1-(4-bromo-5-methylthiophen-2-yl)-3,3-dimethylbutan-1-amine
CID 102827056
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-3-methylpentan-3-amine
CID 106328072
3-bromo-2-methyl-5-(4-methylphenyl)thiophene
CID 101058493
1-bromo-4-(4-bromo-2-methylbutan-2-yl)naphthalene
CID 79837640
1-(4-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 102827298
3-(5-bromo-4-methylthiophen-2-yl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79992461
3-bromo-5-(2-chloroethyl)-2-methylthiophene
CID 102844914

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-bromo-2-methylbutan-2-yl)-2-methylthiophene?
The IUPAC name of 3-bromo-5-(4-bromo-2-methylbutan-2-yl)-2-methylthiophene (CID 102838828) is 3-bromo-5-(4-bromo-2-methylbutan-2-yl)-2-methylthiophene.
What is the SMILES notation for 3-bromo-5-(4-bromo-2-methylbutan-2-yl)-2-methylthiophene?
The canonical SMILES for 3-bromo-5-(4-bromo-2-methylbutan-2-yl)-2-methylthiophene is Cc1sc(C(C)(C)CCBr)cc1Br.
What is the InChIKey of 3-bromo-5-(4-bromo-2-methylbutan-2-yl)-2-methylthiophene?
The InChIKey is HFOXYAYVGPFIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2S/c1-7-8(12)6-9(13-7)10(2,3)4-5-11/h6H,4-5H2,1-3H3.
What are the key properties of 3-bromo-5-(4-bromo-2-methylbutan-2-yl)-2-methylthiophene?
3-bromo-5-(4-bromo-2-methylbutan-2-yl)-2-methylthiophene has a molecular weight of 326.10 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(4-bromo-2-methylbutan-2-yl)-2-methylthiophene is sourced from PubChem (CID 102838828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).