ethoxy-hydroxy-sulfanyl-sulfanylidene-lambda5-phosphane

C2H7O2PS2 — CID 6914331

IUPACethoxy-hydroxy-sulfanyl-sulfanylidene-lambda5-phosphane
SMILESCCOP(O)(=S)S
InChIInChI=1S/C2H7O2PS2/c1-2-4-5(3,6)7/h2H2,1H3,(H2,3,6,7)
InChIKeyUYVQYZKGUSYZOP-UHFFFAOYSA-N
MW158.18 g/mol
LogP1.17
Rot. Bonds2

About ethoxy-hydroxy-sulfanyl-sulfanylidene-lambda5-phosphane

ethoxy-hydroxy-sulfanyl-sulfanylidene-lambda5-phosphane (PubChem CID 6914331) has the molecular formula C2H7O2PS2 and a molecular weight of 158.18 g/mol. Its IUPAC name is ethoxy-hydroxy-sulfanyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Nameethoxy-hydroxy-sulfanyl-sulfanylidene-lambda5-phosphane
PubChem CID6914331
Molecular FormulaC2H7O2PS2
Molecular Weight158.18 g/mol
Exact Mass157.96
IUPAC Nameethoxy-hydroxy-sulfanyl-sulfanylidene-lambda5-phosphane
SMILESCCOP(O)(=S)S
InChIInChI=1S/C2H7O2PS2/c1-2-4-5(3,6)7/h2H2,1H3,(H2,3,6,7)
InChIKeyUYVQYZKGUSYZOP-UHFFFAOYSA-N
XLogP1.17
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxy-hydroxy-sulfanyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of ethoxy-hydroxy-sulfanyl-sulfanylidene-lambda5-phosphane (CID 6914331) is ethoxy-hydroxy-sulfanyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for ethoxy-hydroxy-sulfanyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for ethoxy-hydroxy-sulfanyl-sulfanylidene-lambda5-phosphane is CCOP(O)(=S)S.
What is the InChIKey of ethoxy-hydroxy-sulfanyl-sulfanylidene-lambda5-phosphane?
The InChIKey is UYVQYZKGUSYZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O2PS2/c1-2-4-5(3,6)7/h2H2,1H3,(H2,3,6,7).
What are the key properties of ethoxy-hydroxy-sulfanyl-sulfanylidene-lambda5-phosphane?
ethoxy-hydroxy-sulfanyl-sulfanylidene-lambda5-phosphane has a molecular weight of 158.18 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-hydroxy-sulfanyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 6914331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).