5-bromo-3-hexyl-2-methylthiophene

C11H17BrS — CID 58352067

IUPAC5-bromo-3-hexyl-2-methylthiophene
SMILESCCCCCCc1cc(Br)sc1C
InChIInChI=1S/C11H17BrS/c1-3-4-5-6-7-10-8-11(12)13-9(10)2/h8H,3-7H2,1-2H3
InChIKeySVILVAGUFPUFLG-UHFFFAOYSA-N
MW261.23 g/mol
LogP4.94
Rot. Bonds5

About 5-bromo-3-hexyl-2-methylthiophene

5-bromo-3-hexyl-2-methylthiophene (PubChem CID 58352067) has the molecular formula C11H17BrS and a molecular weight of 261.23 g/mol. Its IUPAC name is 5-bromo-3-hexyl-2-methylthiophene.

Molecular Properties

Compound Name5-bromo-3-hexyl-2-methylthiophene
PubChem CID58352067
Molecular FormulaC11H17BrS
Molecular Weight261.23 g/mol
Exact Mass260.02
IUPAC Name5-bromo-3-hexyl-2-methylthiophene
SMILESCCCCCCc1cc(Br)sc1C
InChIInChI=1S/C11H17BrS/c1-3-4-5-6-7-10-8-11(12)13-9(10)2/h8H,3-7H2,1-2H3
InChIKeySVILVAGUFPUFLG-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(5-bromo-3-octylthiophen-2-yl)-3-octylthiophene
CID 86180196
2,4,6-tris(5-bromo-3-hexylthiophen-2-yl)-1,3,5-triazine
CID 122229494
5-bromo-2-[5-[5-(5-bromo-3-heptadecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-heptadecylthiophene
CID 58084268
2,6-dibromo-4,8-didecylthieno[2,3-f][1]benzothiole
CID 68810648
2,7-dibromo-4,5-dioctyl-1-benzothiophene
CID 141421142
2,5-bis(5-bromo-3-icosylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 90332337
1,4-dibromo-2-hexyl-5-pentylbenzene
CID 146208294
2,5-dibromo-3-[10-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxydecyl]thiophene
CID 102230432
3-hexyl-2-[4-hexyl-5-[4-hexyl-5-(4-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 58239839
2,3,6,7,9,10-hexaheptylanthracene
CID 14089080
5-bromo-2-[(E)-2-[4-[4-[(E)-2-(5-bromo-3-hexylthiophen-2-yl)ethenyl]phenyl]phenyl]ethenyl]-3-hexylthiophene
CID 59288522
1-(5-bromo-2-methylthiophen-3-yl)heptan-1-ol
CID 114753433

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-hexyl-2-methylthiophene?
The IUPAC name of 5-bromo-3-hexyl-2-methylthiophene (CID 58352067) is 5-bromo-3-hexyl-2-methylthiophene.
What is the SMILES notation for 5-bromo-3-hexyl-2-methylthiophene?
The canonical SMILES for 5-bromo-3-hexyl-2-methylthiophene is CCCCCCc1cc(Br)sc1C.
What is the InChIKey of 5-bromo-3-hexyl-2-methylthiophene?
The InChIKey is SVILVAGUFPUFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrS/c1-3-4-5-6-7-10-8-11(12)13-9(10)2/h8H,3-7H2,1-2H3.
What are the key properties of 5-bromo-3-hexyl-2-methylthiophene?
5-bromo-3-hexyl-2-methylthiophene has a molecular weight of 261.23 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-hexyl-2-methylthiophene is sourced from PubChem (CID 58352067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).