butylsulfanyl(chloro)phosphane

C4H10ClPS — CID 57054143

IUPACbutylsulfanyl(chloro)phosphane
SMILESCCCCSPCl
InChIInChI=1S/C4H10ClPS/c1-2-3-4-7-6-5/h6H,2-4H2,1H3
InChIKeyMHEOEGLQXVQPLL-UHFFFAOYSA-N
MW156.62 g/mol
LogP3.27
Rot. Bonds4

About butylsulfanyl(chloro)phosphane

butylsulfanyl(chloro)phosphane (PubChem CID 57054143) has the molecular formula C4H10ClPS and a molecular weight of 156.62 g/mol. Its IUPAC name is butylsulfanyl(chloro)phosphane.

Molecular Properties

Compound Namebutylsulfanyl(chloro)phosphane
PubChem CID57054143
Molecular FormulaC4H10ClPS
Molecular Weight156.62 g/mol
Exact Mass155.99
IUPAC Namebutylsulfanyl(chloro)phosphane
SMILESCCCCSPCl
InChIInChI=1S/C4H10ClPS/c1-2-3-4-7-6-5/h6H,2-4H2,1H3
InChIKeyMHEOEGLQXVQPLL-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
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 butylsulfanyl(chloro)phosphane?
The IUPAC name of butylsulfanyl(chloro)phosphane (CID 57054143) is butylsulfanyl(chloro)phosphane.
What is the SMILES notation for butylsulfanyl(chloro)phosphane?
The canonical SMILES for butylsulfanyl(chloro)phosphane is CCCCSPCl.
What is the InChIKey of butylsulfanyl(chloro)phosphane?
The InChIKey is MHEOEGLQXVQPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClPS/c1-2-3-4-7-6-5/h6H,2-4H2,1H3.
What are the key properties of butylsulfanyl(chloro)phosphane?
butylsulfanyl(chloro)phosphane has a molecular weight of 156.62 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butylsulfanyl(chloro)phosphane is sourced from PubChem (CID 57054143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).