2-phenylsulfanylfuran

C10H8OS — CID 11805267

IUPAC2-phenylsulfanylfuran
SMILESc1ccc(Sc2ccco2)cc1
InChIInChI=1S/C10H8OS/c1-2-5-9(6-3-1)12-10-7-4-8-11-10/h1-8H
InChIKeyKOLRDJDHOMTWFK-UHFFFAOYSA-N
MW176.24 g/mol
LogP3.43
Rot. Bonds2

About 2-phenylsulfanylfuran

2-phenylsulfanylfuran (PubChem CID 11805267) has the molecular formula C10H8OS and a molecular weight of 176.24 g/mol. Its IUPAC name is 2-phenylsulfanylfuran.

Molecular Properties

Compound Name2-phenylsulfanylfuran
PubChem CID11805267
Molecular FormulaC10H8OS
Molecular Weight176.24 g/mol
Exact Mass176.03
IUPAC Name2-phenylsulfanylfuran
SMILESc1ccc(Sc2ccco2)cc1
InChIInChI=1S/C10H8OS/c1-2-5-9(6-3-1)12-10-7-4-8-11-10/h1-8H
InChIKeyKOLRDJDHOMTWFK-UHFFFAOYSA-N
XLogP3.43
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanylfuran?
The IUPAC name of 2-phenylsulfanylfuran (CID 11805267) is 2-phenylsulfanylfuran.
What is the SMILES notation for 2-phenylsulfanylfuran?
The canonical SMILES for 2-phenylsulfanylfuran is c1ccc(Sc2ccco2)cc1.
What is the InChIKey of 2-phenylsulfanylfuran?
The InChIKey is KOLRDJDHOMTWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8OS/c1-2-5-9(6-3-1)12-10-7-4-8-11-10/h1-8H.
What are the key properties of 2-phenylsulfanylfuran?
2-phenylsulfanylfuran has a molecular weight of 176.24 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanylfuran is sourced from PubChem (CID 11805267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).