[4-(2-tert-butylsulfanylethyl)phenyl]phosphane

C12H19PS — CID 71187940

IUPAC[4-(2-tert-butylsulfanylethyl)phenyl]phosphane
SMILESCC(C)(C)SCCc1ccc(P)cc1
InChIInChI=1S/C12H19PS/c1-12(2,3)14-9-8-10-4-6-11(13)7-5-10/h4-7H,8-9,13H2,1-3H3
InChIKeyARPCXAQNXPCXKJ-UHFFFAOYSA-N
MW226.33 g/mol
LogP3.26
Rot. Bonds3

About [4-(2-tert-butylsulfanylethyl)phenyl]phosphane

[4-(2-tert-butylsulfanylethyl)phenyl]phosphane (PubChem CID 71187940) has the molecular formula C12H19PS and a molecular weight of 226.33 g/mol. Its IUPAC name is [4-(2-tert-butylsulfanylethyl)phenyl]phosphane.

Molecular Properties

Compound Name[4-(2-tert-butylsulfanylethyl)phenyl]phosphane
PubChem CID71187940
Molecular FormulaC12H19PS
Molecular Weight226.33 g/mol
Exact Mass226.09
IUPAC Name[4-(2-tert-butylsulfanylethyl)phenyl]phosphane
SMILESCC(C)(C)SCCc1ccc(P)cc1
InChIInChI=1S/C12H19PS/c1-12(2,3)14-9-8-10-4-6-11(13)7-5-10/h4-7H,8-9,13H2,1-3H3
InChIKeyARPCXAQNXPCXKJ-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2-tert-butylsulfanylethyl)phenyl]phosphane?
The IUPAC name of [4-(2-tert-butylsulfanylethyl)phenyl]phosphane (CID 71187940) is [4-(2-tert-butylsulfanylethyl)phenyl]phosphane.
What is the SMILES notation for [4-(2-tert-butylsulfanylethyl)phenyl]phosphane?
The canonical SMILES for [4-(2-tert-butylsulfanylethyl)phenyl]phosphane is CC(C)(C)SCCc1ccc(P)cc1.
What is the InChIKey of [4-(2-tert-butylsulfanylethyl)phenyl]phosphane?
The InChIKey is ARPCXAQNXPCXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19PS/c1-12(2,3)14-9-8-10-4-6-11(13)7-5-10/h4-7H,8-9,13H2,1-3H3.
What are the key properties of [4-(2-tert-butylsulfanylethyl)phenyl]phosphane?
[4-(2-tert-butylsulfanylethyl)phenyl]phosphane has a molecular weight of 226.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-tert-butylsulfanylethyl)phenyl]phosphane is sourced from PubChem (CID 71187940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).