chloro(hexylsulfanylmethyl)phosphane

C7H16ClPS — CID 170850907

IUPACchloro(hexylsulfanylmethyl)phosphane
SMILESCCCCCCSCPCl
InChIInChI=1S/C7H16ClPS/c1-2-3-4-5-6-10-7-9-8/h9H,2-7H2,1H3
InChIKeyMITKNYPJGXOQRZ-UHFFFAOYSA-N
MW198.70 g/mol
LogP4.09
Rot. Bonds7

About chloro(hexylsulfanylmethyl)phosphane

chloro(hexylsulfanylmethyl)phosphane (PubChem CID 170850907) has the molecular formula C7H16ClPS and a molecular weight of 198.70 g/mol. Its IUPAC name is chloro(hexylsulfanylmethyl)phosphane.

Molecular Properties

Compound Namechloro(hexylsulfanylmethyl)phosphane
PubChem CID170850907
Molecular FormulaC7H16ClPS
Molecular Weight198.70 g/mol
Exact Mass198.04
IUPAC Namechloro(hexylsulfanylmethyl)phosphane
SMILESCCCCCCSCPCl
InChIInChI=1S/C7H16ClPS/c1-2-3-4-5-6-10-7-9-8/h9H,2-7H2,1H3
InChIKeyMITKNYPJGXOQRZ-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 54.09
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(hexylsulfanylmethyl)phosphane?
The IUPAC name of chloro(hexylsulfanylmethyl)phosphane (CID 170850907) is chloro(hexylsulfanylmethyl)phosphane.
What is the SMILES notation for chloro(hexylsulfanylmethyl)phosphane?
The canonical SMILES for chloro(hexylsulfanylmethyl)phosphane is CCCCCCSCPCl.
What is the InChIKey of chloro(hexylsulfanylmethyl)phosphane?
The InChIKey is MITKNYPJGXOQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClPS/c1-2-3-4-5-6-10-7-9-8/h9H,2-7H2,1H3.
What are the key properties of chloro(hexylsulfanylmethyl)phosphane?
chloro(hexylsulfanylmethyl)phosphane has a molecular weight of 198.70 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(hexylsulfanylmethyl)phosphane is sourced from PubChem (CID 170850907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).