2,5-dibromo-3-(1-chlorododecyl)thiophene

C16H25Br2ClS — CID 65427146

IUPAC2,5-dibromo-3-(1-chlorododecyl)thiophene
SMILESCCCCCCCCCCCC(Cl)c1cc(Br)sc1Br
InChIInChI=1S/C16H25Br2ClS/c1-2-3-4-5-6-7-8-9-10-11-14(19)13-12-15(17)20-16(13)18/h12,14H,2-11H2,1H3
InChIKeyRDWTVORAQSMEEL-UHFFFAOYSA-N
MW444.70 g/mol
LogP8.47
Rot. Bonds11

About 2,5-dibromo-3-(1-chlorododecyl)thiophene

2,5-dibromo-3-(1-chlorododecyl)thiophene (PubChem CID 65427146) has the molecular formula C16H25Br2ClS and a molecular weight of 444.70 g/mol. Its IUPAC name is 2,5-dibromo-3-(1-chlorododecyl)thiophene.

Molecular Properties

Compound Name2,5-dibromo-3-(1-chlorododecyl)thiophene
PubChem CID65427146
Molecular FormulaC16H25Br2ClS
Molecular Weight444.70 g/mol
Exact Mass441.97
IUPAC Name2,5-dibromo-3-(1-chlorododecyl)thiophene
SMILESCCCCCCCCCCCC(Cl)c1cc(Br)sc1Br
InChIInChI=1S/C16H25Br2ClS/c1-2-3-4-5-6-7-8-9-10-11-14(19)13-12-15(17)20-16(13)18/h12,14H,2-11H2,1H3
InChIKeyRDWTVORAQSMEEL-UHFFFAOYSA-N
XLogP8.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.70
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dibromothiophen-3-yl)decan-1-amine
CID 65447630
1-(2,5-dibromothiophen-3-yl)-N-methyloctan-1-amine
CID 43486900
2,5-dibromo-3-(1-chloro-3-methylpentyl)thiophene
CID 114876055
1-bromo-4-(1-chloroheptyl)-2,5-dimethylbenzene
CID 114753647
1-(5-bromo-2-methylthiophen-3-yl)heptan-1-ol
CID 114753433
5-bromo-2-(5-bromo-3-octylthiophen-2-yl)-3-octylthiophene
CID 86180196
4-bromo-2-(1-chlorooctyl)-1-ethoxybenzene
CID 63434571
2,5-dibromo-3-(1-chloro-2,2-dimethylbutyl)thiophene
CID 63436226
7-bromo-8-(1-chloroheptyl)-3,4-dihydro-2H-1,5-benzodioxepine
CID 114753517
3-(1-chloroheptyl)-1,2,4,5-tetramethylbenzene
CID 114753498
1-bromo-4-(1-chlorohexyl)-2,5-dimethoxybenzene
CID 105057265
1,4-dichloro-2-(1-chlorooctyl)benzene
CID 63436691

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-(1-chlorododecyl)thiophene?
The IUPAC name of 2,5-dibromo-3-(1-chlorododecyl)thiophene (CID 65427146) is 2,5-dibromo-3-(1-chlorododecyl)thiophene.
What is the SMILES notation for 2,5-dibromo-3-(1-chlorododecyl)thiophene?
The canonical SMILES for 2,5-dibromo-3-(1-chlorododecyl)thiophene is CCCCCCCCCCCC(Cl)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-3-(1-chlorododecyl)thiophene?
The InChIKey is RDWTVORAQSMEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Br2ClS/c1-2-3-4-5-6-7-8-9-10-11-14(19)13-12-15(17)20-16(13)18/h12,14H,2-11H2,1H3.
What are the key properties of 2,5-dibromo-3-(1-chlorododecyl)thiophene?
2,5-dibromo-3-(1-chlorododecyl)thiophene has a molecular weight of 444.70 g/mol, XLogP of 8.47, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-(1-chlorododecyl)thiophene is sourced from PubChem (CID 65427146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).