2-(1-bromo-2-methylpropan-2-yl)-3-methylthiophene

C9H13BrS — CID 83692596

IUPAC2-(1-bromo-2-methylpropan-2-yl)-3-methylthiophene
SMILESCc1ccsc1C(C)(C)CBr
InChIInChI=1S/C9H13BrS/c1-7-4-5-11-8(7)9(2,3)6-10/h4-5H,6H2,1-3H3
InChIKeyZTMALXVQMYVGFM-UHFFFAOYSA-N
MW233.17 g/mol
LogP3.73
Rot. Bonds2

About 2-(1-bromo-2-methylpropan-2-yl)-3-methylthiophene

2-(1-bromo-2-methylpropan-2-yl)-3-methylthiophene (PubChem CID 83692596) has the molecular formula C9H13BrS and a molecular weight of 233.17 g/mol. Its IUPAC name is 2-(1-bromo-2-methylpropan-2-yl)-3-methylthiophene.

Molecular Properties

Compound Name2-(1-bromo-2-methylpropan-2-yl)-3-methylthiophene
PubChem CID83692596
Molecular FormulaC9H13BrS
Molecular Weight233.17 g/mol
Exact Mass231.99
IUPAC Name2-(1-bromo-2-methylpropan-2-yl)-3-methylthiophene
SMILESCc1ccsc1C(C)(C)CBr
InChIInChI=1S/C9H13BrS/c1-7-4-5-11-8(7)9(2,3)6-10/h4-5H,6H2,1-3H3
InChIKeyZTMALXVQMYVGFM-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 53.73
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

(2S)-2-(3-methylthiophen-2-yl)butan-2-amine
CID 130055008
N-(2-chloroethyl)-2-methyl-2-(3-methylthiophen-2-yl)propan-1-amine
CID 115215359
2,2-dimethyl-N'-[2-methyl-2-(3-methylthiophen-2-yl)propyl]propane-1,3-diamine
CID 115200327
N-ethyl-4-methyl-4-(3-methylthiophen-2-yl)pentan-2-amine
CID 79995989
2-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]acetaldehyde
CID 115223622
2-fluoro-2-(3-methylthiophen-2-yl)propan-1-amine
CID 112565165
1-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]propan-2-one
CID 115235349
5-bromo-3-methyl-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]pyridin-2-amine
CID 115148718
3-hydroxy-3-(3-methylthiophen-2-yl)butanenitrile
CID 79118234
2-(3-methylthiophen-2-yl)pent-4-en-2-ol
CID 79734594
2-(bromomethyl)-3-methylthiophene
CID 18463526
2-(1-bromo-2-methylpropan-2-yl)thiophene
CID 83690309

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-2-methylpropan-2-yl)-3-methylthiophene?
The IUPAC name of 2-(1-bromo-2-methylpropan-2-yl)-3-methylthiophene (CID 83692596) is 2-(1-bromo-2-methylpropan-2-yl)-3-methylthiophene.
What is the SMILES notation for 2-(1-bromo-2-methylpropan-2-yl)-3-methylthiophene?
The canonical SMILES for 2-(1-bromo-2-methylpropan-2-yl)-3-methylthiophene is Cc1ccsc1C(C)(C)CBr.
What is the InChIKey of 2-(1-bromo-2-methylpropan-2-yl)-3-methylthiophene?
The InChIKey is ZTMALXVQMYVGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrS/c1-7-4-5-11-8(7)9(2,3)6-10/h4-5H,6H2,1-3H3.
What are the key properties of 2-(1-bromo-2-methylpropan-2-yl)-3-methylthiophene?
2-(1-bromo-2-methylpropan-2-yl)-3-methylthiophene has a molecular weight of 233.17 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-2-methylpropan-2-yl)-3-methylthiophene is sourced from PubChem (CID 83692596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).