3-[bis(diethylamino)phosphinothioyl]propanenitrile

C11H24N3PS — CID 23418717

IUPAC3-[bis(diethylamino)phosphinothioyl]propanenitrile
SMILESCCN(CC)P(=S)(CCC#N)N(CC)CC
InChIInChI=1S/C11H24N3PS/c1-5-13(6-2)15(16,11-9-10-12)14(7-3)8-4/h5-9,11H2,1-4H3
InChIKeySXIZFBHUMNHOSH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.89
Rot. Bonds8

About 3-[bis(diethylamino)phosphinothioyl]propanenitrile

3-[bis(diethylamino)phosphinothioyl]propanenitrile (PubChem CID 23418717) has the molecular formula C11H24N3PS and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[bis(diethylamino)phosphinothioyl]propanenitrile.

Molecular Properties

Compound Name3-[bis(diethylamino)phosphinothioyl]propanenitrile
PubChem CID23418717
Molecular FormulaC11H24N3PS
Molecular Weight261.37 g/mol
Exact Mass261.14
IUPAC Name3-[bis(diethylamino)phosphinothioyl]propanenitrile
SMILESCCN(CC)P(=S)(CCC#N)N(CC)CC
InChIInChI=1S/C11H24N3PS/c1-5-13(6-2)15(16,11-9-10-12)14(7-3)8-4/h5-9,11H2,1-4H3
InChIKeySXIZFBHUMNHOSH-UHFFFAOYSA-N
XLogP2.89
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(diethylamino)phosphinothioyl]propanenitrile?
The IUPAC name of 3-[bis(diethylamino)phosphinothioyl]propanenitrile (CID 23418717) is 3-[bis(diethylamino)phosphinothioyl]propanenitrile.
What is the SMILES notation for 3-[bis(diethylamino)phosphinothioyl]propanenitrile?
The canonical SMILES for 3-[bis(diethylamino)phosphinothioyl]propanenitrile is CCN(CC)P(=S)(CCC#N)N(CC)CC.
What is the InChIKey of 3-[bis(diethylamino)phosphinothioyl]propanenitrile?
The InChIKey is SXIZFBHUMNHOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N3PS/c1-5-13(6-2)15(16,11-9-10-12)14(7-3)8-4/h5-9,11H2,1-4H3.
What are the key properties of 3-[bis(diethylamino)phosphinothioyl]propanenitrile?
3-[bis(diethylamino)phosphinothioyl]propanenitrile has a molecular weight of 261.37 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(diethylamino)phosphinothioyl]propanenitrile is sourced from PubChem (CID 23418717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).