diphenylphosphanyl thiophene-2-carboxylate

C17H13O2PS — CID 150820036

IUPACdiphenylphosphanyl thiophene-2-carboxylate
SMILESO=C(OP(c1ccccc1)c1ccccc1)c1cccs1
InChIInChI=1S/C17H13O2PS/c18-17(16-12-7-13-21-16)19-20(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H
InChIKeyKJSQQUBZJIXPTI-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.95
Rot. Bonds4

About diphenylphosphanyl thiophene-2-carboxylate

diphenylphosphanyl thiophene-2-carboxylate (PubChem CID 150820036) has the molecular formula C17H13O2PS and a molecular weight of 312.33 g/mol. Its IUPAC name is diphenylphosphanyl thiophene-2-carboxylate.

Molecular Properties

Compound Namediphenylphosphanyl thiophene-2-carboxylate
PubChem CID150820036
Molecular FormulaC17H13O2PS
Molecular Weight312.33 g/mol
Exact Mass312.04
IUPAC Namediphenylphosphanyl thiophene-2-carboxylate
SMILESO=C(OP(c1ccccc1)c1ccccc1)c1cccs1
InChIInChI=1S/C17H13O2PS/c18-17(16-12-7-13-21-16)19-20(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H
InChIKeyKJSQQUBZJIXPTI-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzoyl thiophene-2-carboxylate
CID 174319053
[1,2-diphenyl-2-(thiophene-2-carbonyloxy)ethenyl] thiophene-2-carboxylate
CID 140844707
phenyl thiophene-2-carboperoxoate
CID 91186228
[4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate
CID 811680
formyl thiophene-2-carboxylate
CID 22645353
aminomethyl thiophene-2-carboxylate
CID 142796710
benzamido thiophene-2-carboxylate
CID 2804175
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507
CID 11204853
CID 11204853
1-phenyl-2-thiophen-2-ylethane-1,2-dione
CID 2175267
(2-phenylphenyl) thiophene-2-carboxylate
CID 922979
[(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate
CID 5332740

Frequently Asked Questions

What is the IUPAC name of diphenylphosphanyl thiophene-2-carboxylate?
The IUPAC name of diphenylphosphanyl thiophene-2-carboxylate (CID 150820036) is diphenylphosphanyl thiophene-2-carboxylate.
What is the SMILES notation for diphenylphosphanyl thiophene-2-carboxylate?
The canonical SMILES for diphenylphosphanyl thiophene-2-carboxylate is O=C(OP(c1ccccc1)c1ccccc1)c1cccs1.
What is the InChIKey of diphenylphosphanyl thiophene-2-carboxylate?
The InChIKey is KJSQQUBZJIXPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13O2PS/c18-17(16-12-7-13-21-16)19-20(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H.
What are the key properties of diphenylphosphanyl thiophene-2-carboxylate?
diphenylphosphanyl thiophene-2-carboxylate has a molecular weight of 312.33 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphanyl thiophene-2-carboxylate is sourced from PubChem (CID 150820036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).