butylsulfanyl(chloromethyl)phosphane

C5H12ClPS — CID 170850933

IUPACbutylsulfanyl(chloromethyl)phosphane
SMILESCCCCSPCCl
InChIInChI=1S/C5H12ClPS/c1-2-3-4-8-7-5-6/h7H,2-5H2,1H3
InChIKeyCFDCZDCAZIKWOH-UHFFFAOYSA-N
MW170.64 g/mol
LogP3.31
Rot. Bonds5

About butylsulfanyl(chloromethyl)phosphane

butylsulfanyl(chloromethyl)phosphane (PubChem CID 170850933) has the molecular formula C5H12ClPS and a molecular weight of 170.64 g/mol. Its IUPAC name is butylsulfanyl(chloromethyl)phosphane.

Molecular Properties

Compound Namebutylsulfanyl(chloromethyl)phosphane
PubChem CID170850933
Molecular FormulaC5H12ClPS
Molecular Weight170.64 g/mol
Exact Mass170.01
IUPAC Namebutylsulfanyl(chloromethyl)phosphane
SMILESCCCCSPCCl
InChIInChI=1S/C5H12ClPS/c1-2-3-4-8-7-5-6/h7H,2-5H2,1H3
InChIKeyCFDCZDCAZIKWOH-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butylsulfanyl(chloromethyl)phosphane?
The IUPAC name of butylsulfanyl(chloromethyl)phosphane (CID 170850933) is butylsulfanyl(chloromethyl)phosphane.
What is the SMILES notation for butylsulfanyl(chloromethyl)phosphane?
The canonical SMILES for butylsulfanyl(chloromethyl)phosphane is CCCCSPCCl.
What is the InChIKey of butylsulfanyl(chloromethyl)phosphane?
The InChIKey is CFDCZDCAZIKWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClPS/c1-2-3-4-8-7-5-6/h7H,2-5H2,1H3.
What are the key properties of butylsulfanyl(chloromethyl)phosphane?
butylsulfanyl(chloromethyl)phosphane has a molecular weight of 170.64 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butylsulfanyl(chloromethyl)phosphane is sourced from PubChem (CID 170850933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).