Thiophene, 2,5-bis(diphenylphosphinyl)-
PubChem CID
635500
Structure
Molecular Formula
Synonyms
- Thiophene, 2,5-bis(diphenylphosphinyl)-
- KYYIRCLYNDIEHT-UHFFFAOYSA-N
- (2,5-bis(diphenylphosphoryl)thiophene)
- [5-(Diphenylphosphoryl)-2-thienyl](diphenyl)phosphine oxide #
Molecular Weight
484.5 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-28
- Modify:2025-01-18
Chemical Structure Depiction
2,5-bis(diphenylphosphoryl)thiophene
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C28H22O2P2S/c29-31(23-13-5-1-6-14-23,24-15-7-2-8-16-24)27-21-22-28(33-27)32(30,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
KYYIRCLYNDIEHT-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=C(S3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C28H22O2P2S
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
484.5 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
6.5
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
484.08157511 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
484.08157511 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
62.4 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
33
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
611
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
NIST Number
155054
Library
Main library
Total Peaks
359
m/z Top Peak
484
m/z 2nd Highest
185
m/z 3rd Highest
483
Thumbnail
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Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=KYYIRCLYNDIEHT-UHFFFAOYSA-N
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawThiophene, 2,5-bis(diphenylphosphinyl)-http://www.nist.gov/srd/nist1a.cfm
- SpectraBaseTHIOPHENE, 2,5-BIS(DIPHENYLPHOSPHINYL)-https://spectrabase.com/spectrum/1kQ55zj4VkAThiophene, 2,5-bis(diphenylphosphinyl)-https://spectrabase.com/spectrum/Hvl1V5bAUex
- Springer Nature
- PubChem
- PATENTSCOPE (WIPO)SID 388275661https://pubchem.ncbi.nlm.nih.gov/substance/388275661
CONTENTS