2,5-dichloro-3-(1-chloro-2-methylpropyl)thiophene

C8H9Cl3S — CID 63436827

IUPAC2,5-dichloro-3-(1-chloro-2-methylpropyl)thiophene
SMILESCC(C)C(Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H9Cl3S/c1-4(2)7(10)5-3-6(9)12-8(5)11/h3-4,7H,1-2H3
InChIKeySYMQHTAJAKUBTE-UHFFFAOYSA-N
MW243.59 g/mol
LogP4.99
Rot. Bonds2

About 2,5-dichloro-3-(1-chloro-2-methylpropyl)thiophene

2,5-dichloro-3-(1-chloro-2-methylpropyl)thiophene (PubChem CID 63436827) has the molecular formula C8H9Cl3S and a molecular weight of 243.59 g/mol. Its IUPAC name is 2,5-dichloro-3-(1-chloro-2-methylpropyl)thiophene.

Molecular Properties

Compound Name2,5-dichloro-3-(1-chloro-2-methylpropyl)thiophene
PubChem CID63436827
Molecular FormulaC8H9Cl3S
Molecular Weight243.59 g/mol
Exact Mass241.95
IUPAC Name2,5-dichloro-3-(1-chloro-2-methylpropyl)thiophene
SMILESCC(C)C(Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H9Cl3S/c1-4(2)7(10)5-3-6(9)12-8(5)11/h3-4,7H,1-2H3
InChIKeySYMQHTAJAKUBTE-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.59
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-(1-chloro-2-methylpropyl)thiophene?
The IUPAC name of 2,5-dichloro-3-(1-chloro-2-methylpropyl)thiophene (CID 63436827) is 2,5-dichloro-3-(1-chloro-2-methylpropyl)thiophene.
What is the SMILES notation for 2,5-dichloro-3-(1-chloro-2-methylpropyl)thiophene?
The canonical SMILES for 2,5-dichloro-3-(1-chloro-2-methylpropyl)thiophene is CC(C)C(Cl)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-3-(1-chloro-2-methylpropyl)thiophene?
The InChIKey is SYMQHTAJAKUBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl3S/c1-4(2)7(10)5-3-6(9)12-8(5)11/h3-4,7H,1-2H3.
What are the key properties of 2,5-dichloro-3-(1-chloro-2-methylpropyl)thiophene?
2,5-dichloro-3-(1-chloro-2-methylpropyl)thiophene has a molecular weight of 243.59 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-(1-chloro-2-methylpropyl)thiophene is sourced from PubChem (CID 63436827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).