2-[2-[methyl(2-thiophen-2-ylethynyl)phosphoryl]ethynyl]thiophene

C13H9OPS2 — CID 164687205

IUPAC2-[2-[methyl(2-thiophen-2-ylethynyl)phosphoryl]ethynyl]thiophene
SMILESCP(=O)(C#Cc1cccs1)C#Cc1cccs1
InChIInChI=1S/C13H9OPS2/c1-15(14,8-6-12-4-2-10-16-12)9-7-13-5-3-11-17-13/h2-5,10-11H,1H3
InChIKeyIGBYAKQLQAXQPN-UHFFFAOYSA-N
MW276.32 g/mol
LogP4.12
Rot. Bonds

About 2-[2-[methyl(2-thiophen-2-ylethynyl)phosphoryl]ethynyl]thiophene

2-[2-[methyl(2-thiophen-2-ylethynyl)phosphoryl]ethynyl]thiophene (PubChem CID 164687205) has the molecular formula C13H9OPS2 and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-[2-[methyl(2-thiophen-2-ylethynyl)phosphoryl]ethynyl]thiophene.

Molecular Properties

Compound Name2-[2-[methyl(2-thiophen-2-ylethynyl)phosphoryl]ethynyl]thiophene
PubChem CID164687205
Molecular FormulaC13H9OPS2
Molecular Weight276.32 g/mol
Exact Mass275.98
IUPAC Name2-[2-[methyl(2-thiophen-2-ylethynyl)phosphoryl]ethynyl]thiophene
SMILESCP(=O)(C#Cc1cccs1)C#Cc1cccs1
InChIInChI=1S/C13H9OPS2/c1-15(14,8-6-12-4-2-10-16-12)9-7-13-5-3-11-17-13/h2-5,10-11H,1H3
InChIKeyIGBYAKQLQAXQPN-UHFFFAOYSA-N
XLogP4.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-prop-1-ynyl-5-(2-thiophen-2-ylethynyl)thiophene
CID 642329
bicyclo[3.1.0]hexa-1(6),2,4-triene;2-prop-1-ynylthiophene
CID 175010018
ethane;thiophene-2-carbonitrile
CID 143604797
1-(4-methylphenyl)-3-thiophen-2-ylprop-2-yn-1-one
CID 18175426
2-[2-(4-methoxyphenyl)ethynyl]thiophene
CID 46218240
2-[2-(benzenesulfonyl)ethynyl]thiophene
CID 162405289
methyl-oxo-phenyl-(2-thiophen-2-ylethynylimino)-λ6-sulfane
CID 132542660
4-thiophen-2-ylbut-3-ynenitrile
CID 170474196
2-[2-(4-bromophenyl)ethynyl]thiophene
CID 691687
copper(1+);2-ethynylthiophene
CID 86222395
trimethyl-(2-methyl-4-thiophen-2-ylbut-3-yn-2-yl)oxysilane
CID 146003769
2-methyl-4-thiophen-2-ylbut-3-yne-1,2-diol
CID 44519880

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(2-thiophen-2-ylethynyl)phosphoryl]ethynyl]thiophene?
The IUPAC name of 2-[2-[methyl(2-thiophen-2-ylethynyl)phosphoryl]ethynyl]thiophene (CID 164687205) is 2-[2-[methyl(2-thiophen-2-ylethynyl)phosphoryl]ethynyl]thiophene.
What is the SMILES notation for 2-[2-[methyl(2-thiophen-2-ylethynyl)phosphoryl]ethynyl]thiophene?
The canonical SMILES for 2-[2-[methyl(2-thiophen-2-ylethynyl)phosphoryl]ethynyl]thiophene is CP(=O)(C#Cc1cccs1)C#Cc1cccs1.
What is the InChIKey of 2-[2-[methyl(2-thiophen-2-ylethynyl)phosphoryl]ethynyl]thiophene?
The InChIKey is IGBYAKQLQAXQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9OPS2/c1-15(14,8-6-12-4-2-10-16-12)9-7-13-5-3-11-17-13/h2-5,10-11H,1H3.
What are the key properties of 2-[2-[methyl(2-thiophen-2-ylethynyl)phosphoryl]ethynyl]thiophene?
2-[2-[methyl(2-thiophen-2-ylethynyl)phosphoryl]ethynyl]thiophene has a molecular weight of 276.32 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(2-thiophen-2-ylethynyl)phosphoryl]ethynyl]thiophene is sourced from PubChem (CID 164687205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).