2-(benzenesulfinyl)-3-(4-chlorophenyl)thiophene

C16H11ClOS2 — CID 69302667

IUPAC2-(benzenesulfinyl)-3-(4-chlorophenyl)thiophene
SMILESO=S(c1ccccc1)c1sccc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClOS2/c17-13-8-6-12(7-9-13)15-10-11-19-16(15)20(18)14-4-2-1-3-5-14/h1-11H
InChIKeySROSSOIBGMEREZ-UHFFFAOYSA-N
MW318.85 g/mol
LogP5.24
Rot. Bonds3

About 2-(benzenesulfinyl)-3-(4-chlorophenyl)thiophene

2-(benzenesulfinyl)-3-(4-chlorophenyl)thiophene (PubChem CID 69302667) has the molecular formula C16H11ClOS2 and a molecular weight of 318.85 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-3-(4-chlorophenyl)thiophene.

Molecular Properties

Compound Name2-(benzenesulfinyl)-3-(4-chlorophenyl)thiophene
PubChem CID69302667
Molecular FormulaC16H11ClOS2
Molecular Weight318.85 g/mol
Exact Mass317.99
IUPAC Name2-(benzenesulfinyl)-3-(4-chlorophenyl)thiophene
SMILESO=S(c1ccccc1)c1sccc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClOS2/c17-13-8-6-12(7-9-13)15-10-11-19-16(15)20(18)14-4-2-1-3-5-14/h1-11H
InChIKeySROSSOIBGMEREZ-UHFFFAOYSA-N
XLogP5.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.85
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-3-(4-chlorophenyl)thiophene?
The IUPAC name of 2-(benzenesulfinyl)-3-(4-chlorophenyl)thiophene (CID 69302667) is 2-(benzenesulfinyl)-3-(4-chlorophenyl)thiophene.
What is the SMILES notation for 2-(benzenesulfinyl)-3-(4-chlorophenyl)thiophene?
The canonical SMILES for 2-(benzenesulfinyl)-3-(4-chlorophenyl)thiophene is O=S(c1ccccc1)c1sccc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(benzenesulfinyl)-3-(4-chlorophenyl)thiophene?
The InChIKey is SROSSOIBGMEREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClOS2/c17-13-8-6-12(7-9-13)15-10-11-19-16(15)20(18)14-4-2-1-3-5-14/h1-11H.
What are the key properties of 2-(benzenesulfinyl)-3-(4-chlorophenyl)thiophene?
2-(benzenesulfinyl)-3-(4-chlorophenyl)thiophene has a molecular weight of 318.85 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-3-(4-chlorophenyl)thiophene is sourced from PubChem (CID 69302667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).