2-chloro-5-(3-chlorohexyl)thiophene

C10H14Cl2S — CID 63460183

IUPAC2-chloro-5-(3-chlorohexyl)thiophene
SMILESCCCC(Cl)CCc1ccc(Cl)s1
InChIInChI=1S/C10H14Cl2S/c1-2-3-8(11)4-5-9-6-7-10(12)13-9/h6-8H,2-5H2,1H3
InChIKeyFORCKDXPWWPJBH-UHFFFAOYSA-N
MW237.19 g/mol
LogP4.74
Rot. Bonds5

About 2-chloro-5-(3-chlorohexyl)thiophene

2-chloro-5-(3-chlorohexyl)thiophene (PubChem CID 63460183) has the molecular formula C10H14Cl2S and a molecular weight of 237.19 g/mol. Its IUPAC name is 2-chloro-5-(3-chlorohexyl)thiophene.

Molecular Properties

Compound Name2-chloro-5-(3-chlorohexyl)thiophene
PubChem CID63460183
Molecular FormulaC10H14Cl2S
Molecular Weight237.19 g/mol
Exact Mass236.02
IUPAC Name2-chloro-5-(3-chlorohexyl)thiophene
SMILESCCCC(Cl)CCc1ccc(Cl)s1
InChIInChI=1S/C10H14Cl2S/c1-2-3-8(11)4-5-9-6-7-10(12)13-9/h6-8H,2-5H2,1H3
InChIKeyFORCKDXPWWPJBH-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(3-chloro-4-methoxybutyl)thiophene
CID 62320206
2-(4-chloroheptyl)-5-ethylthiophene
CID 64516621
N-[2-(5-chlorothiophen-2-yl)ethyl]heptan-4-amine
CID 106042280
N-[2-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 115713587
2-chloro-5-(4-chloro-3-methylbutyl)thiophene
CID 64665256
2-(4-bromohexyl)-5-chlorothiophene
CID 64509206
N-[2-(5-chlorothiophen-2-yl)ethyl]hexan-3-amine
CID 115905549
4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol
CID 64665033
5-(5-chlorothiophen-2-yl)pentan-2-ol
CID 64515785
4-(5-chlorothiophen-2-yl)butane-1,2-diol
CID 83934930
4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol
CID 83934932
1-bromo-4-(5-chlorothiophen-2-yl)butan-2-ol
CID 12895737

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-chlorohexyl)thiophene?
The IUPAC name of 2-chloro-5-(3-chlorohexyl)thiophene (CID 63460183) is 2-chloro-5-(3-chlorohexyl)thiophene.
What is the SMILES notation for 2-chloro-5-(3-chlorohexyl)thiophene?
The canonical SMILES for 2-chloro-5-(3-chlorohexyl)thiophene is CCCC(Cl)CCc1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-(3-chlorohexyl)thiophene?
The InChIKey is FORCKDXPWWPJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2S/c1-2-3-8(11)4-5-9-6-7-10(12)13-9/h6-8H,2-5H2,1H3.
What are the key properties of 2-chloro-5-(3-chlorohexyl)thiophene?
2-chloro-5-(3-chlorohexyl)thiophene has a molecular weight of 237.19 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-chlorohexyl)thiophene is sourced from PubChem (CID 63460183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).