2-(5-thiophen-2-yl-1H-phosphol-2-yl)thiophene

C12H9PS2 — CID 68505444

IUPAC2-(5-thiophen-2-yl-1H-phosphol-2-yl)thiophene
SMILESc1csc(-c2ccc(-c3cccs3)[pH]2)c1
InChIInChI=1S/C12H9PS2/c1-3-11(14-7-1)9-5-6-10(13-9)12-4-2-8-15-12/h1-8,13H
InChIKeyXFZTVQRGBBNYAC-UHFFFAOYSA-N
MW248.31 g/mol
LogP5.17
Rot. Bonds2

About 2-(5-thiophen-2-yl-1H-phosphol-2-yl)thiophene

2-(5-thiophen-2-yl-1H-phosphol-2-yl)thiophene (PubChem CID 68505444) has the molecular formula C12H9PS2 and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-(5-thiophen-2-yl-1H-phosphol-2-yl)thiophene.

Molecular Properties

Compound Name2-(5-thiophen-2-yl-1H-phosphol-2-yl)thiophene
PubChem CID68505444
Molecular FormulaC12H9PS2
Molecular Weight248.31 g/mol
Exact Mass247.99
IUPAC Name2-(5-thiophen-2-yl-1H-phosphol-2-yl)thiophene
SMILESc1csc(-c2ccc(-c3cccs3)[pH]2)c1
InChIInChI=1S/C12H9PS2/c1-3-11(14-7-1)9-5-6-10(13-9)12-4-2-8-15-12/h1-8,13H
InChIKeyXFZTVQRGBBNYAC-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.31
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-thiophen-2-yl-1H-phosphol-2-yl)thiophene?
The IUPAC name of 2-(5-thiophen-2-yl-1H-phosphol-2-yl)thiophene (CID 68505444) is 2-(5-thiophen-2-yl-1H-phosphol-2-yl)thiophene.
What is the SMILES notation for 2-(5-thiophen-2-yl-1H-phosphol-2-yl)thiophene?
The canonical SMILES for 2-(5-thiophen-2-yl-1H-phosphol-2-yl)thiophene is c1csc(-c2ccc(-c3cccs3)[pH]2)c1.
What is the InChIKey of 2-(5-thiophen-2-yl-1H-phosphol-2-yl)thiophene?
The InChIKey is XFZTVQRGBBNYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9PS2/c1-3-11(14-7-1)9-5-6-10(13-9)12-4-2-8-15-12/h1-8,13H.
What are the key properties of 2-(5-thiophen-2-yl-1H-phosphol-2-yl)thiophene?
2-(5-thiophen-2-yl-1H-phosphol-2-yl)thiophene has a molecular weight of 248.31 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thiophen-2-yl-1H-phosphol-2-yl)thiophene is sourced from PubChem (CID 68505444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).