ethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane

C4H11O2PS2 — CID 12616941

IUPACethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane
SMILESCCSP(=S)(OC)OC
InChIInChI=1S/C4H11O2PS2/c1-4-9-7(8,5-2)6-3/h4H2,1-3H3
InChIKeyNDAFGSOGJNYIJW-UHFFFAOYSA-N
MW186.24 g/mol
LogP2.26
Rot. Bonds4

About ethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane

ethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane (PubChem CID 12616941) has the molecular formula C4H11O2PS2 and a molecular weight of 186.24 g/mol. Its IUPAC name is ethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Nameethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane
PubChem CID12616941
Molecular FormulaC4H11O2PS2
Molecular Weight186.24 g/mol
Exact Mass185.99
IUPAC Nameethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane
SMILESCCSP(=S)(OC)OC
InChIInChI=1S/C4H11O2PS2/c1-4-9-7(8,5-2)6-3/h4H2,1-3H3
InChIKeyNDAFGSOGJNYIJW-UHFFFAOYSA-N
XLogP2.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of ethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane (CID 12616941) is ethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for ethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for ethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane is CCSP(=S)(OC)OC.
What is the InChIKey of ethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane?
The InChIKey is NDAFGSOGJNYIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O2PS2/c1-4-9-7(8,5-2)6-3/h4H2,1-3H3.
What are the key properties of ethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane?
ethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane has a molecular weight of 186.24 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 12616941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).