chloro(pentylsulfanylmethyl)phosphane

C6H14ClPS — CID 170850905

IUPACchloro(pentylsulfanylmethyl)phosphane
SMILESCCCCCSCPCl
InChIInChI=1S/C6H14ClPS/c1-2-3-4-5-9-6-8-7/h8H,2-6H2,1H3
InChIKeyFRLUQYYHIRYPPX-UHFFFAOYSA-N
MW184.67 g/mol
LogP3.70
Rot. Bonds6

About chloro(pentylsulfanylmethyl)phosphane

chloro(pentylsulfanylmethyl)phosphane (PubChem CID 170850905) has the molecular formula C6H14ClPS and a molecular weight of 184.67 g/mol. Its IUPAC name is chloro(pentylsulfanylmethyl)phosphane.

Molecular Properties

Compound Namechloro(pentylsulfanylmethyl)phosphane
PubChem CID170850905
Molecular FormulaC6H14ClPS
Molecular Weight184.67 g/mol
Exact Mass184.02
IUPAC Namechloro(pentylsulfanylmethyl)phosphane
SMILESCCCCCSCPCl
InChIInChI=1S/C6H14ClPS/c1-2-3-4-5-9-6-8-7/h8H,2-6H2,1H3
InChIKeyFRLUQYYHIRYPPX-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 53.70
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(pentylsulfanylmethyl)phosphane?
The IUPAC name of chloro(pentylsulfanylmethyl)phosphane (CID 170850905) is chloro(pentylsulfanylmethyl)phosphane.
What is the SMILES notation for chloro(pentylsulfanylmethyl)phosphane?
The canonical SMILES for chloro(pentylsulfanylmethyl)phosphane is CCCCCSCPCl.
What is the InChIKey of chloro(pentylsulfanylmethyl)phosphane?
The InChIKey is FRLUQYYHIRYPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClPS/c1-2-3-4-5-9-6-8-7/h8H,2-6H2,1H3.
What are the key properties of chloro(pentylsulfanylmethyl)phosphane?
chloro(pentylsulfanylmethyl)phosphane has a molecular weight of 184.67 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(pentylsulfanylmethyl)phosphane is sourced from PubChem (CID 170850905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).