3-ethylphosphanylsulfanylpropanenitrile

C5H10NPS — CID 167244940

IUPAC3-ethylphosphanylsulfanylpropanenitrile
SMILESCCPSCCC#N
InChIInChI=1S/C5H10NPS/c1-2-7-8-5-3-4-6/h7H,2-3,5H2,1H3
InChIKeyRDCSFEXSHRLATM-UHFFFAOYSA-N
MW147.18 g/mol
LogP2.25
Rot. Bonds4

About 3-ethylphosphanylsulfanylpropanenitrile

3-ethylphosphanylsulfanylpropanenitrile (PubChem CID 167244940) has the molecular formula C5H10NPS and a molecular weight of 147.18 g/mol. Its IUPAC name is 3-ethylphosphanylsulfanylpropanenitrile.

Molecular Properties

Compound Name3-ethylphosphanylsulfanylpropanenitrile
PubChem CID167244940
Molecular FormulaC5H10NPS
Molecular Weight147.18 g/mol
Exact Mass147.03
IUPAC Name3-ethylphosphanylsulfanylpropanenitrile
SMILESCCPSCCC#N
InChIInChI=1S/C5H10NPS/c1-2-7-8-5-3-4-6/h7H,2-3,5H2,1H3
InChIKeyRDCSFEXSHRLATM-UHFFFAOYSA-N
XLogP2.25
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethane;3-ethylsulfanylpropanenitrile
CID 142187539
2-cyanoethylsulfanyl(methyl)mercury
CID 165357921
butanenitrile;ethane
CID 91457061
alumane;butanenitrile
CID 174728323
3-(methoxymethylsulfanyl)propanenitrile
CID 82531419
3-[2-(2-cyanoethylsulfanyl)-1,2-bis(sulfanyl)ethenyl]sulfanylpropanenitrile
CID 72543029
3-(2-cyanoethylsulfanyl)propanenitrile;thiourea
CID 161135172
3-cyanopropyl(triethyl)azanium
CID 21326202
2-cyanoethyl-diethyl-methylazanium iodide
CID 131863694
3-dimethoxyphosphorylsulfanylpropanenitrile
CID 23553412
undecanenitrile
CID 16722
octadecanenitrile
CID 12532

Frequently Asked Questions

What is the IUPAC name of 3-ethylphosphanylsulfanylpropanenitrile?
The IUPAC name of 3-ethylphosphanylsulfanylpropanenitrile (CID 167244940) is 3-ethylphosphanylsulfanylpropanenitrile.
What is the SMILES notation for 3-ethylphosphanylsulfanylpropanenitrile?
The canonical SMILES for 3-ethylphosphanylsulfanylpropanenitrile is CCPSCCC#N.
What is the InChIKey of 3-ethylphosphanylsulfanylpropanenitrile?
The InChIKey is RDCSFEXSHRLATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NPS/c1-2-7-8-5-3-4-6/h7H,2-3,5H2,1H3.
What are the key properties of 3-ethylphosphanylsulfanylpropanenitrile?
3-ethylphosphanylsulfanylpropanenitrile has a molecular weight of 147.18 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylphosphanylsulfanylpropanenitrile is sourced from PubChem (CID 167244940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).