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1015-38-9 molecular structure
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diphenyl(sulfanyl)-λ5-phosphanethione

ChemBase ID: 283900
Molecular Formular: C12H11PS2
Molecular Mass: 250.319501
Monoisotopic Mass: 250.00397898
SMILES and InChIs

SMILES:
P(=S)(c1ccccc1)(c1ccccc1)S
Canonical SMILES:
SP(=S)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C12H11PS2/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,14,15)
InChIKey:
CLUOCCWZZAGLPM-UHFFFAOYSA-N

Cite this record

CBID:283900 http://www.chembase.cn/molecule-283900.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
diphenyl(sulfanyl)-λ5-phosphanethione
IUPAC Traditional name
diphenyl(sulfanyl)-λ5-phosphanethione
Synonyms
diphenyl(sulfanyl)-$l^{5}-phosphanethione
Diphenyldithiophosphonic acid
二苯基二硫代磷酸
CAS Number
1015-38-9
MDL Number
MFCD00014457
PubChem SID
180669431
PubChem CID
129564

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 129564 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.208112  H Acceptors
H Donor LogD (pH = 5.5) 4.287918 
LogD (pH = 7.4) 4.281552  Log P 4.288 
Molar Refractivity 72.1382 cm3 Polarizability 29.694618 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)
Apperance
Crystalline expand Show data source
Melting Point
55-56°C expand Show data source
Hydrophobicity(logP)
3.81 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/38 expand Show data source
Safety Statements
26 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319 expand Show data source
GHS Precautionary statements
P280-P305+P351+P338-P302+P352-P321-P362-P332+P313 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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