bis(ethylsulfanyl)-methylphosphane

C5H13PS2 — CID 13487513

IUPACbis(ethylsulfanyl)-methylphosphane
SMILESCCSP(C)SCC
InChIInChI=1S/C5H13PS2/c1-4-7-6(3)8-5-2/h4-5H2,1-3H3
InChIKeyDXQIZFNMFRTHPP-UHFFFAOYSA-N
MW168.27 g/mol
LogP3.43
Rot. Bonds4

About bis(ethylsulfanyl)-methylphosphane

bis(ethylsulfanyl)-methylphosphane (PubChem CID 13487513) has the molecular formula C5H13PS2 and a molecular weight of 168.27 g/mol. Its IUPAC name is bis(ethylsulfanyl)-methylphosphane.

Molecular Properties

Compound Namebis(ethylsulfanyl)-methylphosphane
PubChem CID13487513
Molecular FormulaC5H13PS2
Molecular Weight168.27 g/mol
Exact Mass168.02
IUPAC Namebis(ethylsulfanyl)-methylphosphane
SMILESCCSP(C)SCC
InChIInChI=1S/C5H13PS2/c1-4-7-6(3)8-5-2/h4-5H2,1-3H3
InChIKeyDXQIZFNMFRTHPP-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.27
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(ethylsulfanyl)-methylphosphane?
The IUPAC name of bis(ethylsulfanyl)-methylphosphane (CID 13487513) is bis(ethylsulfanyl)-methylphosphane.
What is the SMILES notation for bis(ethylsulfanyl)-methylphosphane?
The canonical SMILES for bis(ethylsulfanyl)-methylphosphane is CCSP(C)SCC.
What is the InChIKey of bis(ethylsulfanyl)-methylphosphane?
The InChIKey is DXQIZFNMFRTHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13PS2/c1-4-7-6(3)8-5-2/h4-5H2,1-3H3.
What are the key properties of bis(ethylsulfanyl)-methylphosphane?
bis(ethylsulfanyl)-methylphosphane has a molecular weight of 168.27 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethylsulfanyl)-methylphosphane is sourced from PubChem (CID 13487513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).