diethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane

C5H13O2PS2 — CID 18682

IUPACdiethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)SC
InChIInChI=1S/C5H13O2PS2/c1-4-6-8(9,10-3)7-5-2/h4-5H2,1-3H3
InChIKeyMXSZXPYMTRBCQT-UHFFFAOYSA-N
MW200.26 g/mol
LogP2.65
Rot. Bonds5

About diethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane

diethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane (PubChem CID 18682) has the molecular formula C5H13O2PS2 and a molecular weight of 200.26 g/mol. Its IUPAC name is diethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namediethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane
PubChem CID18682
Molecular FormulaC5H13O2PS2
Molecular Weight200.26 g/mol
Exact Mass200.01
IUPAC Namediethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)SC
InChIInChI=1S/C5H13O2PS2/c1-4-6-8(9,10-3)7-5-2/h4-5H2,1-3H3
InChIKeyMXSZXPYMTRBCQT-UHFFFAOYSA-N
XLogP2.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 52.65
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 diethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of diethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane (CID 18682) is diethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for diethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for diethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane is CCOP(=S)(OCC)SC.
What is the InChIKey of diethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane?
The InChIKey is MXSZXPYMTRBCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O2PS2/c1-4-6-8(9,10-3)7-5-2/h4-5H2,1-3H3.
What are the key properties of diethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane?
diethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane has a molecular weight of 200.26 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 18682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).