2-(1-chloro-1-propoxy-2-thiophen-2-ylethyl)thiophene

C13H15ClOS2 — CID 70463598

IUPAC2-(1-chloro-1-propoxy-2-thiophen-2-ylethyl)thiophene
SMILESCCCOC(Cl)(Cc1cccs1)c1cccs1
InChIInChI=1S/C13H15ClOS2/c1-2-7-15-13(14,12-6-4-9-17-12)10-11-5-3-8-16-11/h3-6,8-9H,2,7,10H2,1H3
InChIKeyAQGSYJSROHLUEE-UHFFFAOYSA-N
MW286.85 g/mol
LogP4.87
Rot. Bonds6

About 2-(1-chloro-1-propoxy-2-thiophen-2-ylethyl)thiophene

2-(1-chloro-1-propoxy-2-thiophen-2-ylethyl)thiophene (PubChem CID 70463598) has the molecular formula C13H15ClOS2 and a molecular weight of 286.85 g/mol. Its IUPAC name is 2-(1-chloro-1-propoxy-2-thiophen-2-ylethyl)thiophene.

Molecular Properties

Compound Name2-(1-chloro-1-propoxy-2-thiophen-2-ylethyl)thiophene
PubChem CID70463598
Molecular FormulaC13H15ClOS2
Molecular Weight286.85 g/mol
Exact Mass286.03
IUPAC Name2-(1-chloro-1-propoxy-2-thiophen-2-ylethyl)thiophene
SMILESCCCOC(Cl)(Cc1cccs1)c1cccs1
InChIInChI=1S/C13H15ClOS2/c1-2-7-15-13(14,12-6-4-9-17-12)10-11-5-3-8-16-11/h3-6,8-9H,2,7,10H2,1H3
InChIKeyAQGSYJSROHLUEE-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.85
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(1-chloro-1-propoxy-2-thiophen-2-ylethyl)thiophene?
The IUPAC name of 2-(1-chloro-1-propoxy-2-thiophen-2-ylethyl)thiophene (CID 70463598) is 2-(1-chloro-1-propoxy-2-thiophen-2-ylethyl)thiophene.
What is the SMILES notation for 2-(1-chloro-1-propoxy-2-thiophen-2-ylethyl)thiophene?
The canonical SMILES for 2-(1-chloro-1-propoxy-2-thiophen-2-ylethyl)thiophene is CCCOC(Cl)(Cc1cccs1)c1cccs1.
What is the InChIKey of 2-(1-chloro-1-propoxy-2-thiophen-2-ylethyl)thiophene?
The InChIKey is AQGSYJSROHLUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClOS2/c1-2-7-15-13(14,12-6-4-9-17-12)10-11-5-3-8-16-11/h3-6,8-9H,2,7,10H2,1H3.
What are the key properties of 2-(1-chloro-1-propoxy-2-thiophen-2-ylethyl)thiophene?
2-(1-chloro-1-propoxy-2-thiophen-2-ylethyl)thiophene has a molecular weight of 286.85 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-1-propoxy-2-thiophen-2-ylethyl)thiophene is sourced from PubChem (CID 70463598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).