2-(4-chlorophenyl)sulfanylfuran

C10H7ClOS — CID 21212358

IUPAC2-(4-chlorophenyl)sulfanylfuran
SMILESClc1ccc(Sc2ccco2)cc1
InChIInChI=1S/C10H7ClOS/c11-8-3-5-9(6-4-8)13-10-2-1-7-12-10/h1-7H
InChIKeyQDFJCDVHXOUYNT-UHFFFAOYSA-N
MW210.69 g/mol
LogP4.08
Rot. Bonds2

About 2-(4-chlorophenyl)sulfanylfuran

2-(4-chlorophenyl)sulfanylfuran (PubChem CID 21212358) has the molecular formula C10H7ClOS and a molecular weight of 210.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanylfuran.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanylfuran
PubChem CID21212358
Molecular FormulaC10H7ClOS
Molecular Weight210.69 g/mol
Exact Mass209.99
IUPAC Name2-(4-chlorophenyl)sulfanylfuran
SMILESClc1ccc(Sc2ccco2)cc1
InChIInChI=1S/C10H7ClOS/c11-8-3-5-9(6-4-8)13-10-2-1-7-12-10/h1-7H
InChIKeyQDFJCDVHXOUYNT-UHFFFAOYSA-N
XLogP4.08
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.69
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanylfuran?
The IUPAC name of 2-(4-chlorophenyl)sulfanylfuran (CID 21212358) is 2-(4-chlorophenyl)sulfanylfuran.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanylfuran?
The canonical SMILES for 2-(4-chlorophenyl)sulfanylfuran is Clc1ccc(Sc2ccco2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanylfuran?
The InChIKey is QDFJCDVHXOUYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClOS/c11-8-3-5-9(6-4-8)13-10-2-1-7-12-10/h1-7H.
What are the key properties of 2-(4-chlorophenyl)sulfanylfuran?
2-(4-chlorophenyl)sulfanylfuran has a molecular weight of 210.69 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanylfuran is sourced from PubChem (CID 21212358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).