2-(1-bromo-2-thiophen-3-ylethyl)-5-methylthiophene

C11H11BrS2 — CID 63016860

IUPAC2-(1-bromo-2-thiophen-3-ylethyl)-5-methylthiophene
SMILESCc1ccc(C(Br)Cc2ccsc2)s1
InChIInChI=1S/C11H11BrS2/c1-8-2-3-11(14-8)10(12)6-9-4-5-13-7-9/h2-5,7,10H,6H2,1H3
InChIKeyYMNQVMKYHLFAEA-UHFFFAOYSA-N
MW287.25 g/mol
LogP4.80
Rot. Bonds3

About 2-(1-bromo-2-thiophen-3-ylethyl)-5-methylthiophene

2-(1-bromo-2-thiophen-3-ylethyl)-5-methylthiophene (PubChem CID 63016860) has the molecular formula C11H11BrS2 and a molecular weight of 287.25 g/mol. Its IUPAC name is 2-(1-bromo-2-thiophen-3-ylethyl)-5-methylthiophene.

Molecular Properties

Compound Name2-(1-bromo-2-thiophen-3-ylethyl)-5-methylthiophene
PubChem CID63016860
Molecular FormulaC11H11BrS2
Molecular Weight287.25 g/mol
Exact Mass285.95
IUPAC Name2-(1-bromo-2-thiophen-3-ylethyl)-5-methylthiophene
SMILESCc1ccc(C(Br)Cc2ccsc2)s1
InChIInChI=1S/C11H11BrS2/c1-8-2-3-11(14-8)10(12)6-9-4-5-13-7-9/h2-5,7,10H,6H2,1H3
InChIKeyYMNQVMKYHLFAEA-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-dibromoethyl)thiophene
CID 174416053
2-(1-bromo-2-thiophen-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene
CID 55223700
3-[2-bromo-2-(4-tert-butylphenyl)ethyl]thiophene
CID 63544455
3-(2-fluoropropyl)thiophene
CID 74766003
2-(1-bromo-2-thiophen-3-ylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene
CID 63542210
3-(4-bromo-2-methylpentyl)thiophene
CID 64721699
3-methyl-1-thiophen-3-ylbutan-2-amine
CID 61079756
3-(2-bromo-4,4-dimethylpentyl)thiophene
CID 63542905
3-[(2S)-2,3-dimethylbutyl]thiophene
CID 130210876
3-(2-ethylbutyl)thiophene
CID 89133993
2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-methylthiophene
CID 63435833
3-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]thiophene
CID 63017599

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-2-thiophen-3-ylethyl)-5-methylthiophene?
The IUPAC name of 2-(1-bromo-2-thiophen-3-ylethyl)-5-methylthiophene (CID 63016860) is 2-(1-bromo-2-thiophen-3-ylethyl)-5-methylthiophene.
What is the SMILES notation for 2-(1-bromo-2-thiophen-3-ylethyl)-5-methylthiophene?
The canonical SMILES for 2-(1-bromo-2-thiophen-3-ylethyl)-5-methylthiophene is Cc1ccc(C(Br)Cc2ccsc2)s1.
What is the InChIKey of 2-(1-bromo-2-thiophen-3-ylethyl)-5-methylthiophene?
The InChIKey is YMNQVMKYHLFAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrS2/c1-8-2-3-11(14-8)10(12)6-9-4-5-13-7-9/h2-5,7,10H,6H2,1H3.
What are the key properties of 2-(1-bromo-2-thiophen-3-ylethyl)-5-methylthiophene?
2-(1-bromo-2-thiophen-3-ylethyl)-5-methylthiophene has a molecular weight of 287.25 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-2-thiophen-3-ylethyl)-5-methylthiophene is sourced from PubChem (CID 63016860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).