2-ethylsulfanylethylsulfanyl-hydroxy-methoxy-sulfanylidene-λ5-phosphane

C5H13O2PS3 — CID 101416438

IUPAC2-ethylsulfanylethylsulfanyl-hydroxy-methoxy-sulfanylidene-λ5-phosphane
SMILESCCSCCSP(O)(=S)OC
InChIInChI=1S/C5H13O2PS3/c1-3-10-4-5-11-8(6,9)7-2/h3-5H2,1-2H3,(H,6,9)
InChIKeyOUJCPZBHBALTOU-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.34
Rot. Bonds6

About 2-ethylsulfanylethylsulfanyl-hydroxy-methoxy-sulfanylidene-λ5-phosphane

2-ethylsulfanylethylsulfanyl-hydroxy-methoxy-sulfanylidene-λ5-phosphane (PubChem CID 101416438) has the molecular formula C5H13O2PS3 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-ethylsulfanylethylsulfanyl-hydroxy-methoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name2-ethylsulfanylethylsulfanyl-hydroxy-methoxy-sulfanylidene-λ5-phosphane
PubChem CID101416438
Molecular FormulaC5H13O2PS3
Molecular Weight232.33 g/mol
Exact Mass231.98
IUPAC Name2-ethylsulfanylethylsulfanyl-hydroxy-methoxy-sulfanylidene-λ5-phosphane
SMILESCCSCCSP(O)(=S)OC
InChIInChI=1S/C5H13O2PS3/c1-3-10-4-5-11-8(6,9)7-2/h3-5H2,1-2H3,(H,6,9)
InChIKeyOUJCPZBHBALTOU-UHFFFAOYSA-N
XLogP2.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 88829017
CID 88829017
2-ethylsulfanylethoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane
CID 154166943
2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-λ5-phosphane
CID 23447081
diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane carbamate
CID 18924387
1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane
CID 121008102
O-methyl 2-ethylsulfanylethylsulfanylmethanethioate
CID 126992841
hydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane
CID 174981933
ethoxy-(2-ethylsulfanylethylsulfanyl)-ethynoxy-sulfanylidene-λ5-phosphane
CID 20592830
O-[ethylsulfanyl(hydroxy)phosphinothioyl]hydroxylamine
CID 174299103
hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073414
hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane
CID 161189025
hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;λ2-plumbane
CID 173386502

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylethylsulfanyl-hydroxy-methoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of 2-ethylsulfanylethylsulfanyl-hydroxy-methoxy-sulfanylidene-λ5-phosphane (CID 101416438) is 2-ethylsulfanylethylsulfanyl-hydroxy-methoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for 2-ethylsulfanylethylsulfanyl-hydroxy-methoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for 2-ethylsulfanylethylsulfanyl-hydroxy-methoxy-sulfanylidene-λ5-phosphane is CCSCCSP(O)(=S)OC.
What is the InChIKey of 2-ethylsulfanylethylsulfanyl-hydroxy-methoxy-sulfanylidene-λ5-phosphane?
The InChIKey is OUJCPZBHBALTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O2PS3/c1-3-10-4-5-11-8(6,9)7-2/h3-5H2,1-2H3,(H,6,9).
What are the key properties of 2-ethylsulfanylethylsulfanyl-hydroxy-methoxy-sulfanylidene-λ5-phosphane?
2-ethylsulfanylethylsulfanyl-hydroxy-methoxy-sulfanylidene-λ5-phosphane has a molecular weight of 232.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylethylsulfanyl-hydroxy-methoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 101416438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).