2-[bromo(thiophen-2-yl)methyl]-3-ethylthiophene

C11H11BrS2 — CID 79975387

IUPAC2-[bromo(thiophen-2-yl)methyl]-3-ethylthiophene
SMILESCCc1ccsc1C(Br)c1cccs1
InChIInChI=1S/C11H11BrS2/c1-2-8-5-7-14-11(8)10(12)9-4-3-6-13-9/h3-7,10H,2H2,1H3
InChIKeyLEYZIJYKUXMWCS-UHFFFAOYSA-N
MW287.25 g/mol
LogP4.86
Rot. Bonds3

About 2-[bromo(thiophen-2-yl)methyl]-3-ethylthiophene

2-[bromo(thiophen-2-yl)methyl]-3-ethylthiophene (PubChem CID 79975387) has the molecular formula C11H11BrS2 and a molecular weight of 287.25 g/mol. Its IUPAC name is 2-[bromo(thiophen-2-yl)methyl]-3-ethylthiophene.

Molecular Properties

Compound Name2-[bromo(thiophen-2-yl)methyl]-3-ethylthiophene
PubChem CID79975387
Molecular FormulaC11H11BrS2
Molecular Weight287.25 g/mol
Exact Mass285.95
IUPAC Name2-[bromo(thiophen-2-yl)methyl]-3-ethylthiophene
SMILESCCc1ccsc1C(Br)c1cccs1
InChIInChI=1S/C11H11BrS2/c1-2-8-5-7-14-11(8)10(12)9-4-3-6-13-9/h3-7,10H,2H2,1H3
InChIKeyLEYZIJYKUXMWCS-UHFFFAOYSA-N
XLogP4.86
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 ≤ 54.86
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

2-[bromo(thiophen-2-yl)methyl]-3-methylthiophene
CID 61098512
2,3-dibromo-5-[bromo-(3-ethylthiophen-2-yl)methyl]thiophene
CID 80534116
2-[bromo-(3,4-dimethylphenyl)methyl]-3-ethylthiophene
CID 79975064
2-[bromo(thiophen-2-yl)methyl]-5-ethylfuran
CID 79084640
2-[bromo-(2,4,6-trifluorophenyl)methyl]-3-ethylthiophene
CID 79975273
2-[bromo-(4-fluoro-3,5-dimethylphenyl)methyl]-3-ethylthiophene
CID 79976512
2-[bromo-(3-ethylthiophen-2-yl)methyl]-3,5-dimethylthiophene
CID 81157909
2-(dichloromethyl)-3-ethylthiophene
CID 14685355
ethane;3-ethyl-2-propan-2-ylthiophene
CID 153374658
2-[bromo-(3-bromo-4-ethoxyphenyl)methyl]-3-ethylthiophene
CID 104661842
2-[bromo-(2-chloro-4-methoxyphenyl)methyl]-3-ethylthiophene
CID 79975691
2-(3-bromophenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 79976015

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(thiophen-2-yl)methyl]-3-ethylthiophene?
The IUPAC name of 2-[bromo(thiophen-2-yl)methyl]-3-ethylthiophene (CID 79975387) is 2-[bromo(thiophen-2-yl)methyl]-3-ethylthiophene.
What is the SMILES notation for 2-[bromo(thiophen-2-yl)methyl]-3-ethylthiophene?
The canonical SMILES for 2-[bromo(thiophen-2-yl)methyl]-3-ethylthiophene is CCc1ccsc1C(Br)c1cccs1.
What is the InChIKey of 2-[bromo(thiophen-2-yl)methyl]-3-ethylthiophene?
The InChIKey is LEYZIJYKUXMWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrS2/c1-2-8-5-7-14-11(8)10(12)9-4-3-6-13-9/h3-7,10H,2H2,1H3.
What are the key properties of 2-[bromo(thiophen-2-yl)methyl]-3-ethylthiophene?
2-[bromo(thiophen-2-yl)methyl]-3-ethylthiophene has a molecular weight of 287.25 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(thiophen-2-yl)methyl]-3-ethylthiophene is sourced from PubChem (CID 79975387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).