tert-butyl-dimethyl-sulfanylidene-λ5-phosphane

C6H15PS — CID 20634565

IUPACtert-butyl-dimethyl-sulfanylidene-λ5-phosphane
SMILESCC(C)(C)P(C)(C)=S
InChIInChI=1S/C6H15PS/c1-6(2,3)7(4,5)8/h1-5H3
InChIKeyFHBHFWNCBYIPJP-UHFFFAOYSA-N
MW150.23 g/mol
LogP2.52
Rot. Bonds

About tert-butyl-dimethyl-sulfanylidene-λ5-phosphane

tert-butyl-dimethyl-sulfanylidene-λ5-phosphane (PubChem CID 20634565) has the molecular formula C6H15PS and a molecular weight of 150.23 g/mol. Its IUPAC name is tert-butyl-dimethyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nametert-butyl-dimethyl-sulfanylidene-λ5-phosphane
PubChem CID20634565
Molecular FormulaC6H15PS
Molecular Weight150.23 g/mol
Exact Mass150.06
IUPAC Nametert-butyl-dimethyl-sulfanylidene-λ5-phosphane
SMILESCC(C)(C)P(C)(C)=S
InChIInChI=1S/C6H15PS/c1-6(2,3)7(4,5)8/h1-5H3
InChIKeyFHBHFWNCBYIPJP-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.23
LogP ≤ 52.52
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 tert-butyl-dimethyl-sulfanylidene-λ5-phosphane?
The IUPAC name of tert-butyl-dimethyl-sulfanylidene-λ5-phosphane (CID 20634565) is tert-butyl-dimethyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for tert-butyl-dimethyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for tert-butyl-dimethyl-sulfanylidene-λ5-phosphane is CC(C)(C)P(C)(C)=S.
What is the InChIKey of tert-butyl-dimethyl-sulfanylidene-λ5-phosphane?
The InChIKey is FHBHFWNCBYIPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15PS/c1-6(2,3)7(4,5)8/h1-5H3.
What are the key properties of tert-butyl-dimethyl-sulfanylidene-λ5-phosphane?
tert-butyl-dimethyl-sulfanylidene-λ5-phosphane has a molecular weight of 150.23 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 20634565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).