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94317-64-3 molecular structure
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butyl[diamino(sulfanylidene)-λ5-phosphanyl]amine

ChemBase ID: 92685
Molecular Formular: C4H14N3PS
Molecular Mass: 167.212821
Monoisotopic Mass: 167.06460509
SMILES and InChIs

SMILES:
P(=S)(N)(NCCCC)N
Canonical SMILES:
CCCCNP(=S)(N)N
InChI:
InChI=1S/C4H14N3PS/c1-2-3-4-7-8(5,6)9/h2-4H2,1H3,(H5,5,6,7,9)
InChIKey:
HEPPIYNOUFWEPP-UHFFFAOYSA-N

Cite this record

CBID:92685 http://www.chembase.cn/molecule-92685.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
butyl[diamino(sulfanylidene)-λ5-phosphanyl]amine
butyl[diamino(sulfanylidene)-$l^{5}-phosphanyl]amine
IUPAC Traditional name
butyl[diamino(sulfanylidene)-λ5-phosphanyl]amine
butyl[diamino(sulfanylidene)-$l^{5}-phosphanyl]amine
Synonyms
N-Butyl-phosphorothioic Triamide
N-Butylthiophosphoric Triamide
NBPT
N-(n-Butyl)thiophosphoric Triamide
N-(n-Butyl)thiophosphoramide
CAS Number
94317-64-3
MDL Number
MFCD00269941
PubChem SID
162079383
PubChem CID
93502

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 93502 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.32023  H Acceptors
H Donor LogD (pH = 5.5) -0.30728725 
LogD (pH = 7.4) -0.307287  Log P -0.307287 
Molar Refractivity 46.0193 cm3 Polarizability 19.330505 Å3
Polar Surface Area 64.07 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
54°C expand Show data source
54-56°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
Stench expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Zaman, M., et al.: Soil Biol. Biochem., 41, 1270 (2009)
  • • Giovannini, C., et al.: J. Agric. Food Chem., 57, 4883 (2009)
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PATENTS

PATENTS

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INTERNET

INTERNET

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