ethylsulfanyloxy-hydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane

C3H9O2PS3 — CID 87701361

IUPACethylsulfanyloxy-hydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCCSOP(O)(=S)SC
InChIInChI=1S/C3H9O2PS3/c1-3-9-5-6(4,7)8-2/h3H2,1-2H3,(H,4,7)
InChIKeyIJXUDMITJCFJSH-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.25
Rot. Bonds4

About ethylsulfanyloxy-hydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane

ethylsulfanyloxy-hydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 87701361) has the molecular formula C3H9O2PS3 and a molecular weight of 204.28 g/mol. Its IUPAC name is ethylsulfanyloxy-hydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameethylsulfanyloxy-hydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane
PubChem CID87701361
Molecular FormulaC3H9O2PS3
Molecular Weight204.28 g/mol
Exact Mass203.95
IUPAC Nameethylsulfanyloxy-hydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCCSOP(O)(=S)SC
InChIInChI=1S/C3H9O2PS3/c1-3-9-5-6(4,7)8-2/h3H2,1-2H3,(H,4,7)
InChIKeyIJXUDMITJCFJSH-UHFFFAOYSA-N
XLogP2.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethylsulfanyloxy-hydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of ethylsulfanyloxy-hydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane (CID 87701361) is ethylsulfanyloxy-hydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for ethylsulfanyloxy-hydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for ethylsulfanyloxy-hydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane is CCSOP(O)(=S)SC.
What is the InChIKey of ethylsulfanyloxy-hydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is IJXUDMITJCFJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O2PS3/c1-3-9-5-6(4,7)8-2/h3H2,1-2H3,(H,4,7).
What are the key properties of ethylsulfanyloxy-hydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane?
ethylsulfanyloxy-hydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 204.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanyloxy-hydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 87701361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).