ethyl-phenyl-propan-2-ylsulfanylphosphane

C11H17PS — CID 13169923

IUPACethyl-phenyl-propan-2-ylsulfanylphosphane
SMILESCCP(SC(C)C)c1ccccc1
InChIInChI=1S/C11H17PS/c1-4-12(13-10(2)3)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3
InChIKeyRQWJOEWDTXIARE-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.87
Rot. Bonds4

About ethyl-phenyl-propan-2-ylsulfanylphosphane

ethyl-phenyl-propan-2-ylsulfanylphosphane (PubChem CID 13169923) has the molecular formula C11H17PS and a molecular weight of 212.30 g/mol. Its IUPAC name is ethyl-phenyl-propan-2-ylsulfanylphosphane.

Molecular Properties

Compound Nameethyl-phenyl-propan-2-ylsulfanylphosphane
PubChem CID13169923
Molecular FormulaC11H17PS
Molecular Weight212.30 g/mol
Exact Mass212.08
IUPAC Nameethyl-phenyl-propan-2-ylsulfanylphosphane
SMILESCCP(SC(C)C)c1ccccc1
InChIInChI=1S/C11H17PS/c1-4-12(13-10(2)3)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3
InChIKeyRQWJOEWDTXIARE-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.87
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 ethyl-phenyl-propan-2-ylsulfanylphosphane?
The IUPAC name of ethyl-phenyl-propan-2-ylsulfanylphosphane (CID 13169923) is ethyl-phenyl-propan-2-ylsulfanylphosphane.
What is the SMILES notation for ethyl-phenyl-propan-2-ylsulfanylphosphane?
The canonical SMILES for ethyl-phenyl-propan-2-ylsulfanylphosphane is CCP(SC(C)C)c1ccccc1.
What is the InChIKey of ethyl-phenyl-propan-2-ylsulfanylphosphane?
The InChIKey is RQWJOEWDTXIARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17PS/c1-4-12(13-10(2)3)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3.
What are the key properties of ethyl-phenyl-propan-2-ylsulfanylphosphane?
ethyl-phenyl-propan-2-ylsulfanylphosphane has a molecular weight of 212.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-phenyl-propan-2-ylsulfanylphosphane is sourced from PubChem (CID 13169923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).