2-[dichloro(phenyl)methyl]thiophene

C11H8Cl2S — CID 12792430

IUPAC2-[dichloro(phenyl)methyl]thiophene
SMILESClC(Cl)(c1ccccc1)c1cccs1
InChIInChI=1S/C11H8Cl2S/c12-11(13,10-7-4-8-14-10)9-5-2-1-3-6-9/h1-8H
InChIKeyLSXVEHRNEMMNTF-UHFFFAOYSA-N
MW243.16 g/mol
LogP4.43
Rot. Bonds2

About 2-[dichloro(phenyl)methyl]thiophene

2-[dichloro(phenyl)methyl]thiophene (PubChem CID 12792430) has the molecular formula C11H8Cl2S and a molecular weight of 243.16 g/mol. Its IUPAC name is 2-[dichloro(phenyl)methyl]thiophene.

Molecular Properties

Compound Name2-[dichloro(phenyl)methyl]thiophene
PubChem CID12792430
Molecular FormulaC11H8Cl2S
Molecular Weight243.16 g/mol
Exact Mass241.97
IUPAC Name2-[dichloro(phenyl)methyl]thiophene
SMILESClC(Cl)(c1ccccc1)c1cccs1
InChIInChI=1S/C11H8Cl2S/c12-11(13,10-7-4-8-14-10)9-5-2-1-3-6-9/h1-8H
InChIKeyLSXVEHRNEMMNTF-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.16
LogP ≤ 54.43
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-[dichloro(phenyl)methyl]thiophene?
The IUPAC name of 2-[dichloro(phenyl)methyl]thiophene (CID 12792430) is 2-[dichloro(phenyl)methyl]thiophene.
What is the SMILES notation for 2-[dichloro(phenyl)methyl]thiophene?
The canonical SMILES for 2-[dichloro(phenyl)methyl]thiophene is ClC(Cl)(c1ccccc1)c1cccs1.
What is the InChIKey of 2-[dichloro(phenyl)methyl]thiophene?
The InChIKey is LSXVEHRNEMMNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2S/c12-11(13,10-7-4-8-14-10)9-5-2-1-3-6-9/h1-8H.
What are the key properties of 2-[dichloro(phenyl)methyl]thiophene?
2-[dichloro(phenyl)methyl]thiophene has a molecular weight of 243.16 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dichloro(phenyl)methyl]thiophene is sourced from PubChem (CID 12792430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).