3-[bromo(thiophen-3-yl)methyl]-2,5-dimethylthiophene

C11H11BrS2 — CID 61098752

IUPAC3-[bromo(thiophen-3-yl)methyl]-2,5-dimethylthiophene
SMILESCc1cc(C(Br)c2ccsc2)c(C)s1
InChIInChI=1S/C11H11BrS2/c1-7-5-10(8(2)14-7)11(12)9-3-4-13-6-9/h3-6,11H,1-2H3
InChIKeyJTFKPFMOLITKKR-UHFFFAOYSA-N
MW287.25 g/mol
LogP4.91
Rot. Bonds2

About 3-[bromo(thiophen-3-yl)methyl]-2,5-dimethylthiophene

3-[bromo(thiophen-3-yl)methyl]-2,5-dimethylthiophene (PubChem CID 61098752) has the molecular formula C11H11BrS2 and a molecular weight of 287.25 g/mol. Its IUPAC name is 3-[bromo(thiophen-3-yl)methyl]-2,5-dimethylthiophene.

Molecular Properties

Compound Name3-[bromo(thiophen-3-yl)methyl]-2,5-dimethylthiophene
PubChem CID61098752
Molecular FormulaC11H11BrS2
Molecular Weight287.25 g/mol
Exact Mass285.95
IUPAC Name3-[bromo(thiophen-3-yl)methyl]-2,5-dimethylthiophene
SMILESCc1cc(C(Br)c2ccsc2)c(C)s1
InChIInChI=1S/C11H11BrS2/c1-7-5-10(8(2)14-7)11(12)9-3-4-13-6-9/h3-6,11H,1-2H3
InChIKeyJTFKPFMOLITKKR-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 54.91
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

(2,5-dimethylthiophen-3-yl)-thiophen-3-ylmethanamine
CID 43464505
3-[bromo-(5-methylthiophen-2-yl)methyl]-2,5-dimethylthiophene
CID 63440541
3-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]thiophene
CID 61096009
3-[bromo-(2,3,5,6-tetramethylphenyl)methyl]thiophene
CID 63442261
3-[bromo-(3-bromothiophen-2-yl)methyl]-2,5-dimethylthiophene
CID 63797512
3-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]thiophene
CID 65432606
3-[bromo-(5-bromo-2-methoxyphenyl)methyl]thiophene
CID 63435890
2-[bromo-(2,5-dimethylthiophen-3-yl)methyl]furan
CID 61098751
3-[bromo-(4-fluoro-3-methylphenyl)methyl]thiophene
CID 79746992
3-(1-bromo-2-methylpropyl)-2,5-dimethylthiophene
CID 61097945
3-[bromo-(2-chloro-4-methoxyphenyl)methyl]thiophene
CID 61098604
3-[bromo-(2-bromo-4,5-diethoxyphenyl)methyl]thiophene
CID 63441143

Frequently Asked Questions

What is the IUPAC name of 3-[bromo(thiophen-3-yl)methyl]-2,5-dimethylthiophene?
The IUPAC name of 3-[bromo(thiophen-3-yl)methyl]-2,5-dimethylthiophene (CID 61098752) is 3-[bromo(thiophen-3-yl)methyl]-2,5-dimethylthiophene.
What is the SMILES notation for 3-[bromo(thiophen-3-yl)methyl]-2,5-dimethylthiophene?
The canonical SMILES for 3-[bromo(thiophen-3-yl)methyl]-2,5-dimethylthiophene is Cc1cc(C(Br)c2ccsc2)c(C)s1.
What is the InChIKey of 3-[bromo(thiophen-3-yl)methyl]-2,5-dimethylthiophene?
The InChIKey is JTFKPFMOLITKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrS2/c1-7-5-10(8(2)14-7)11(12)9-3-4-13-6-9/h3-6,11H,1-2H3.
What are the key properties of 3-[bromo(thiophen-3-yl)methyl]-2,5-dimethylthiophene?
3-[bromo(thiophen-3-yl)methyl]-2,5-dimethylthiophene has a molecular weight of 287.25 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo(thiophen-3-yl)methyl]-2,5-dimethylthiophene is sourced from PubChem (CID 61098752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).