2-ethyl-5-[4-(5-ethylfuran-2-yl)thieno[2,3-f][1]benzothiol-8-yl]furan

C22H18O2S2 — CID 102585231

IUPAC2-ethyl-5-[4-(5-ethylfuran-2-yl)thieno[2,3-f][1]benzothiol-8-yl]furan
SMILESCCc1ccc(-c2c3ccsc3c(-c3ccc(CC)o3)c3ccsc23)o1
InChIInChI=1S/C22H18O2S2/c1-3-13-5-7-17(23-13)19-15-9-11-26-22(15)20(16-10-12-25-21(16)19)18-8-6-14(4-2)24-18/h5-12H,3-4H2,1-2H3
InChIKeyBVTMYAMRWNROAP-UHFFFAOYSA-N
MW378.52 g/mol
LogP7.76
Rot. Bonds4

About 2-ethyl-5-[4-(5-ethylfuran-2-yl)thieno[2,3-f][1]benzothiol-8-yl]furan

2-ethyl-5-[4-(5-ethylfuran-2-yl)thieno[2,3-f][1]benzothiol-8-yl]furan (PubChem CID 102585231) has the molecular formula C22H18O2S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-ethyl-5-[4-(5-ethylfuran-2-yl)thieno[2,3-f][1]benzothiol-8-yl]furan.

Molecular Properties

Compound Name2-ethyl-5-[4-(5-ethylfuran-2-yl)thieno[2,3-f][1]benzothiol-8-yl]furan
PubChem CID102585231
Molecular FormulaC22H18O2S2
Molecular Weight378.52 g/mol
Exact Mass378.07
IUPAC Name2-ethyl-5-[4-(5-ethylfuran-2-yl)thieno[2,3-f][1]benzothiol-8-yl]furan
SMILESCCc1ccc(-c2c3ccsc3c(-c3ccc(CC)o3)c3ccsc23)o1
InChIInChI=1S/C22H18O2S2/c1-3-13-5-7-17(23-13)19-15-9-11-26-22(15)20(16-10-12-25-21(16)19)18-8-6-14(4-2)24-18/h5-12H,3-4H2,1-2H3
InChIKeyBVTMYAMRWNROAP-UHFFFAOYSA-N
XLogP7.76
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[4-(5-ethylfuran-2-yl)thieno[2,3-f][1]benzothiol-8-yl]furan?
The IUPAC name of 2-ethyl-5-[4-(5-ethylfuran-2-yl)thieno[2,3-f][1]benzothiol-8-yl]furan (CID 102585231) is 2-ethyl-5-[4-(5-ethylfuran-2-yl)thieno[2,3-f][1]benzothiol-8-yl]furan.
What is the SMILES notation for 2-ethyl-5-[4-(5-ethylfuran-2-yl)thieno[2,3-f][1]benzothiol-8-yl]furan?
The canonical SMILES for 2-ethyl-5-[4-(5-ethylfuran-2-yl)thieno[2,3-f][1]benzothiol-8-yl]furan is CCc1ccc(-c2c3ccsc3c(-c3ccc(CC)o3)c3ccsc23)o1.
What is the InChIKey of 2-ethyl-5-[4-(5-ethylfuran-2-yl)thieno[2,3-f][1]benzothiol-8-yl]furan?
The InChIKey is BVTMYAMRWNROAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2S2/c1-3-13-5-7-17(23-13)19-15-9-11-26-22(15)20(16-10-12-25-21(16)19)18-8-6-14(4-2)24-18/h5-12H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-5-[4-(5-ethylfuran-2-yl)thieno[2,3-f][1]benzothiol-8-yl]furan?
2-ethyl-5-[4-(5-ethylfuran-2-yl)thieno[2,3-f][1]benzothiol-8-yl]furan has a molecular weight of 378.52 g/mol, XLogP of 7.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[4-(5-ethylfuran-2-yl)thieno[2,3-f][1]benzothiol-8-yl]furan is sourced from PubChem (CID 102585231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).