tritert-butyl(sulfanylidene)-lambda5-phosphane

C12H27PS — CID 14598514

IUPACtritert-butyl(sulfanylidene)-lambda5-phosphane
SMILESCC(C)(C)P(=S)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27PS/c1-10(2,3)13(14,11(4,5)6)12(7,8)9/h1-9H3
InChIKeyPLYPZSJZAXHOQL-UHFFFAOYSA-N
MW234.39 g/mol
LogP4.86
Rot. Bonds

About tritert-butyl(sulfanylidene)-lambda5-phosphane

tritert-butyl(sulfanylidene)-lambda5-phosphane (PubChem CID 14598514) has the molecular formula C12H27PS and a molecular weight of 234.39 g/mol. Its IUPAC name is tritert-butyl(sulfanylidene)-lambda5-phosphane.

Molecular Properties

Compound Nametritert-butyl(sulfanylidene)-lambda5-phosphane
PubChem CID14598514
Molecular FormulaC12H27PS
Molecular Weight234.39 g/mol
Exact Mass234.16
IUPAC Nametritert-butyl(sulfanylidene)-lambda5-phosphane
SMILESCC(C)(C)P(=S)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27PS/c1-10(2,3)13(14,11(4,5)6)12(7,8)9/h1-9H3
InChIKeyPLYPZSJZAXHOQL-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.86
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 tritert-butyl(sulfanylidene)-lambda5-phosphane?
The IUPAC name of tritert-butyl(sulfanylidene)-lambda5-phosphane (CID 14598514) is tritert-butyl(sulfanylidene)-lambda5-phosphane.
What is the SMILES notation for tritert-butyl(sulfanylidene)-lambda5-phosphane?
The canonical SMILES for tritert-butyl(sulfanylidene)-lambda5-phosphane is CC(C)(C)P(=S)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of tritert-butyl(sulfanylidene)-lambda5-phosphane?
The InChIKey is PLYPZSJZAXHOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27PS/c1-10(2,3)13(14,11(4,5)6)12(7,8)9/h1-9H3.
What are the key properties of tritert-butyl(sulfanylidene)-lambda5-phosphane?
tritert-butyl(sulfanylidene)-lambda5-phosphane has a molecular weight of 234.39 g/mol, XLogP of 4.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tritert-butyl(sulfanylidene)-lambda5-phosphane is sourced from PubChem (CID 14598514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).