2-(chloro-phenyl-thiophen-2-ylmethyl)thiophene

C15H11ClS2 — CID 139749250

IUPAC2-(chloro-phenyl-thiophen-2-ylmethyl)thiophene
SMILESClC(c1ccccc1)(c1cccs1)c1cccs1
InChIInChI=1S/C15H11ClS2/c16-15(13-8-4-10-17-13,14-9-5-11-18-14)12-6-2-1-3-7-12/h1-11H
InChIKeyXOLKNXGOICRVLB-UHFFFAOYSA-N
MW290.84 g/mol
LogP5.34
Rot. Bonds3

About 2-(chloro-phenyl-thiophen-2-ylmethyl)thiophene

2-(chloro-phenyl-thiophen-2-ylmethyl)thiophene (PubChem CID 139749250) has the molecular formula C15H11ClS2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 2-(chloro-phenyl-thiophen-2-ylmethyl)thiophene.

Molecular Properties

Compound Name2-(chloro-phenyl-thiophen-2-ylmethyl)thiophene
PubChem CID139749250
Molecular FormulaC15H11ClS2
Molecular Weight290.84 g/mol
Exact Mass290.00
IUPAC Name2-(chloro-phenyl-thiophen-2-ylmethyl)thiophene
SMILESClC(c1ccccc1)(c1cccs1)c1cccs1
InChIInChI=1S/C15H11ClS2/c16-15(13-8-4-10-17-13,14-9-5-11-18-14)12-6-2-1-3-7-12/h1-11H
InChIKeyXOLKNXGOICRVLB-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.84
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(chloro-phenyl-thiophen-2-ylmethyl)thiophene?
The IUPAC name of 2-(chloro-phenyl-thiophen-2-ylmethyl)thiophene (CID 139749250) is 2-(chloro-phenyl-thiophen-2-ylmethyl)thiophene.
What is the SMILES notation for 2-(chloro-phenyl-thiophen-2-ylmethyl)thiophene?
The canonical SMILES for 2-(chloro-phenyl-thiophen-2-ylmethyl)thiophene is ClC(c1ccccc1)(c1cccs1)c1cccs1.
What is the InChIKey of 2-(chloro-phenyl-thiophen-2-ylmethyl)thiophene?
The InChIKey is XOLKNXGOICRVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClS2/c16-15(13-8-4-10-17-13,14-9-5-11-18-14)12-6-2-1-3-7-12/h1-11H.
What are the key properties of 2-(chloro-phenyl-thiophen-2-ylmethyl)thiophene?
2-(chloro-phenyl-thiophen-2-ylmethyl)thiophene has a molecular weight of 290.84 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloro-phenyl-thiophen-2-ylmethyl)thiophene is sourced from PubChem (CID 139749250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).