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41309-60-8 molecular structure
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[diphenyl(sulfanylidene)-λ5-phosphanyl]hydrazine

ChemBase ID: 230547
Molecular Formular: C12H13N2PS
Molecular Mass: 248.283781
Monoisotopic Mass: 248.05370606
SMILES and InChIs

SMILES:
P(=S)(NN)(c1ccccc1)c1ccccc1
Canonical SMILES:
NNP(=S)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C12H13N2PS/c13-14-15(16,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,13H2,(H,14,16)
InChIKey:
QJFDYBHUUOGHNV-UHFFFAOYSA-N

Cite this record

CBID:230547 http://www.chembase.cn/molecule-230547.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[diphenyl(sulfanylidene)-λ5-phosphanyl]hydrazine
IUPAC Traditional name
[diphenyl(sulfanylidene)-λ5-phosphanyl]hydrazine
Synonyms
P,P-diphenylphosphinothioic hydrazide
CAS Number
41309-60-8
MDL Number
MFCD03150729
PubChem SID
164286457
PubChem CID
2342118

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-03775 external link Add to cart Please log in.
Data Source Data ID
PubChem 2342118 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.387016  H Acceptors
H Donor LogD (pH = 5.5) 3.1526787 
LogD (pH = 7.4) 3.1693828  Log P 3.1696 
Molar Refractivity 74.1665 cm3 Polarizability 29.144617 Å3
Polar Surface Area 38.05 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
3.747 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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