2-phenyl-3-thiophen-2-ylsulfanylindolizine

C18H13NS2 — CID 167435139

IUPAC2-phenyl-3-thiophen-2-ylsulfanylindolizine
SMILESc1ccc(-c2cc3ccccn3c2Sc2cccs2)cc1
InChIInChI=1S/C18H13NS2/c1-2-7-14(8-3-1)16-13-15-9-4-5-11-19(15)18(16)21-17-10-6-12-20-17/h1-13H
InChIKeyGJJIOSJIQUZVPT-UHFFFAOYSA-N
MW307.44 g/mol
LogP5.82
Rot. Bonds3

About 2-phenyl-3-thiophen-2-ylsulfanylindolizine

2-phenyl-3-thiophen-2-ylsulfanylindolizine (PubChem CID 167435139) has the molecular formula C18H13NS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-phenyl-3-thiophen-2-ylsulfanylindolizine.

Molecular Properties

Compound Name2-phenyl-3-thiophen-2-ylsulfanylindolizine
PubChem CID167435139
Molecular FormulaC18H13NS2
Molecular Weight307.44 g/mol
Exact Mass307.05
IUPAC Name2-phenyl-3-thiophen-2-ylsulfanylindolizine
SMILESc1ccc(-c2cc3ccccn3c2Sc2cccs2)cc1
InChIInChI=1S/C18H13NS2/c1-2-7-14(8-3-1)16-13-15-9-4-5-11-19(15)18(16)21-17-10-6-12-20-17/h1-13H
InChIKeyGJJIOSJIQUZVPT-UHFFFAOYSA-N
XLogP5.82
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-thiophen-2-ylsulfanylindolizine?
The IUPAC name of 2-phenyl-3-thiophen-2-ylsulfanylindolizine (CID 167435139) is 2-phenyl-3-thiophen-2-ylsulfanylindolizine.
What is the SMILES notation for 2-phenyl-3-thiophen-2-ylsulfanylindolizine?
The canonical SMILES for 2-phenyl-3-thiophen-2-ylsulfanylindolizine is c1ccc(-c2cc3ccccn3c2Sc2cccs2)cc1.
What is the InChIKey of 2-phenyl-3-thiophen-2-ylsulfanylindolizine?
The InChIKey is GJJIOSJIQUZVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NS2/c1-2-7-14(8-3-1)16-13-15-9-4-5-11-19(15)18(16)21-17-10-6-12-20-17/h1-13H.
What are the key properties of 2-phenyl-3-thiophen-2-ylsulfanylindolizine?
2-phenyl-3-thiophen-2-ylsulfanylindolizine has a molecular weight of 307.44 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-thiophen-2-ylsulfanylindolizine is sourced from PubChem (CID 167435139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).