chloro(propylsulfanylmethyl)phosphane

C4H10ClPS — CID 170850903

IUPACchloro(propylsulfanylmethyl)phosphane
SMILESCCCSCPCl
InChIInChI=1S/C4H10ClPS/c1-2-3-7-4-6-5/h6H,2-4H2,1H3
InChIKeyZKAHNUGIYSWKGJ-UHFFFAOYSA-N
MW156.62 g/mol
LogP2.92
Rot. Bonds4

About chloro(propylsulfanylmethyl)phosphane

chloro(propylsulfanylmethyl)phosphane (PubChem CID 170850903) has the molecular formula C4H10ClPS and a molecular weight of 156.62 g/mol. Its IUPAC name is chloro(propylsulfanylmethyl)phosphane.

Molecular Properties

Compound Namechloro(propylsulfanylmethyl)phosphane
PubChem CID170850903
Molecular FormulaC4H10ClPS
Molecular Weight156.62 g/mol
Exact Mass155.99
IUPAC Namechloro(propylsulfanylmethyl)phosphane
SMILESCCCSCPCl
InChIInChI=1S/C4H10ClPS/c1-2-3-7-4-6-5/h6H,2-4H2,1H3
InChIKeyZKAHNUGIYSWKGJ-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro(propylsulfanylmethyl)phosphane?
The IUPAC name of chloro(propylsulfanylmethyl)phosphane (CID 170850903) is chloro(propylsulfanylmethyl)phosphane.
What is the SMILES notation for chloro(propylsulfanylmethyl)phosphane?
The canonical SMILES for chloro(propylsulfanylmethyl)phosphane is CCCSCPCl.
What is the InChIKey of chloro(propylsulfanylmethyl)phosphane?
The InChIKey is ZKAHNUGIYSWKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClPS/c1-2-3-7-4-6-5/h6H,2-4H2,1H3.
What are the key properties of chloro(propylsulfanylmethyl)phosphane?
chloro(propylsulfanylmethyl)phosphane has a molecular weight of 156.62 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(propylsulfanylmethyl)phosphane is sourced from PubChem (CID 170850903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).