ethenyl-diethyl-sulfanylidene-λ5-phosphane

C6H13PS — CID 23280362

IUPACethenyl-diethyl-sulfanylidene-λ5-phosphane
SMILESC=CP(=S)(CC)CC
InChIInChI=1S/C6H13PS/c1-4-7(8,5-2)6-3/h4H,1,5-6H2,2-3H3
InChIKeyYBXRJADQRVVLKS-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.65
Rot. Bonds3

About ethenyl-diethyl-sulfanylidene-λ5-phosphane

ethenyl-diethyl-sulfanylidene-λ5-phosphane (PubChem CID 23280362) has the molecular formula C6H13PS and a molecular weight of 148.21 g/mol. Its IUPAC name is ethenyl-diethyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameethenyl-diethyl-sulfanylidene-λ5-phosphane
PubChem CID23280362
Molecular FormulaC6H13PS
Molecular Weight148.21 g/mol
Exact Mass148.05
IUPAC Nameethenyl-diethyl-sulfanylidene-λ5-phosphane
SMILESC=CP(=S)(CC)CC
InChIInChI=1S/C6H13PS/c1-4-7(8,5-2)6-3/h4H,1,5-6H2,2-3H3
InChIKeyYBXRJADQRVVLKS-UHFFFAOYSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl-diethyl-sulfanylidene-λ5-phosphane?
The IUPAC name of ethenyl-diethyl-sulfanylidene-λ5-phosphane (CID 23280362) is ethenyl-diethyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for ethenyl-diethyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for ethenyl-diethyl-sulfanylidene-λ5-phosphane is C=CP(=S)(CC)CC.
What is the InChIKey of ethenyl-diethyl-sulfanylidene-λ5-phosphane?
The InChIKey is YBXRJADQRVVLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13PS/c1-4-7(8,5-2)6-3/h4H,1,5-6H2,2-3H3.
What are the key properties of ethenyl-diethyl-sulfanylidene-λ5-phosphane?
ethenyl-diethyl-sulfanylidene-λ5-phosphane has a molecular weight of 148.21 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-diethyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23280362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).