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24171-89-9 molecular structure
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tris(thiophen-2-yl)phosphane

ChemBase ID: 86067
Molecular Formular: C12H9PS3
Molecular Mass: 280.368621
Monoisotopic Mass: 279.96039992
SMILES and InChIs

SMILES:
P(c1cccs1)(c1cccs1)c1cccs1
Canonical SMILES:
c1csc(c1)P(c1cccs1)c1cccs1
InChI:
InChI=1S/C12H9PS3/c1-4-10(14-7-1)13(11-5-2-8-15-11)12-6-3-9-16-12/h1-9H
InChIKey:
KUCPTMZJPDVWJL-UHFFFAOYSA-N

Cite this record

CBID:86067 http://www.chembase.cn/molecule-86067.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(thiophen-2-yl)phosphane
IUPAC Traditional name
tris(thiophen-2-yl)phosphane
Synonyms
Tri-2-thienylphosphine
Tri(2-thienyl)phosphine
Tris(2-thienyl)phosphine
三(2-噻吩)膦
CAS Number
24171-89-9
EC Number
246-059-8
MDL Number
MFCD00015471
Beilstein Number
203736
PubChem SID
162073183
PubChem CID
90384

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 90384 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.8883  LogD (pH = 7.4) 3.8883 
Log P 3.8883  Molar Refractivity 70.42 cm3
Polarizability 28.198507 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
28-30°C expand Show data source
Storage Warning
Air Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
98+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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