diethoxy-sulfanylidene-(thiiran-2-ylmethylsulfanyl)-λ5-phosphane

C7H15O2PS3 — CID 11043454

IUPACdiethoxy-sulfanylidene-(thiiran-2-ylmethylsulfanyl)-λ5-phosphane
SMILESCCOP(=S)(OCC)SCC1CS1
InChIInChI=1S/C7H15O2PS3/c1-3-8-10(11,9-4-2)13-6-7-5-12-7/h7H,3-6H2,1-2H3
InChIKeyVVTMSTPLQKRIBW-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.13
Rot. Bonds7

About diethoxy-sulfanylidene-(thiiran-2-ylmethylsulfanyl)-λ5-phosphane

diethoxy-sulfanylidene-(thiiran-2-ylmethylsulfanyl)-λ5-phosphane (PubChem CID 11043454) has the molecular formula C7H15O2PS3 and a molecular weight of 258.37 g/mol. Its IUPAC name is diethoxy-sulfanylidene-(thiiran-2-ylmethylsulfanyl)-λ5-phosphane.

Molecular Properties

Compound Namediethoxy-sulfanylidene-(thiiran-2-ylmethylsulfanyl)-λ5-phosphane
PubChem CID11043454
Molecular FormulaC7H15O2PS3
Molecular Weight258.37 g/mol
Exact Mass258.00
IUPAC Namediethoxy-sulfanylidene-(thiiran-2-ylmethylsulfanyl)-λ5-phosphane
SMILESCCOP(=S)(OCC)SCC1CS1
InChIInChI=1S/C7H15O2PS3/c1-3-8-10(11,9-4-2)13-6-7-5-12-7/h7H,3-6H2,1-2H3
InChIKeyVVTMSTPLQKRIBW-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-diethoxyphosphinothioylsulfanylacetate
CID 13524
(diethoxyphosphinothioyltetrasulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane
CID 12506612
tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane
CID 23447087
diethyl-bis(thiiran-2-ylmethylsulfanyl)germane
CID 139986625
diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-lambda5-phosphane
CID 17241
diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
CID 87195358
[(1S)-2-bicyclo[2.2.1]hept-5-enyl]sulfanyl-diethoxy-sulfanylidene-λ5-phosphane
CID 54537627
2-diethoxyphosphinothioylsulfanylcyclopentan-1-one
CID 102057554
[ethoxy(ethylsulfanyl)phosphinothioyl] diethyl phosphate
CID 22497723
4-diethoxyphosphinothioylsulfanylbutane-1-sulfonic acid
CID 15851135
diethoxy-(2,3,4,5,6-pentachlorophenyl)sulfanyl-sulfanylidene-λ5-phosphane
CID 23262179
ethoxy-ethyl-(2-methylpropylsulfanyl)-sulfanylidene-lambda5-phosphane
CID 13296683

Frequently Asked Questions

What is the IUPAC name of diethoxy-sulfanylidene-(thiiran-2-ylmethylsulfanyl)-λ5-phosphane?
The IUPAC name of diethoxy-sulfanylidene-(thiiran-2-ylmethylsulfanyl)-λ5-phosphane (CID 11043454) is diethoxy-sulfanylidene-(thiiran-2-ylmethylsulfanyl)-λ5-phosphane.
What is the SMILES notation for diethoxy-sulfanylidene-(thiiran-2-ylmethylsulfanyl)-λ5-phosphane?
The canonical SMILES for diethoxy-sulfanylidene-(thiiran-2-ylmethylsulfanyl)-λ5-phosphane is CCOP(=S)(OCC)SCC1CS1.
What is the InChIKey of diethoxy-sulfanylidene-(thiiran-2-ylmethylsulfanyl)-λ5-phosphane?
The InChIKey is VVTMSTPLQKRIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O2PS3/c1-3-8-10(11,9-4-2)13-6-7-5-12-7/h7H,3-6H2,1-2H3.
What are the key properties of diethoxy-sulfanylidene-(thiiran-2-ylmethylsulfanyl)-λ5-phosphane?
diethoxy-sulfanylidene-(thiiran-2-ylmethylsulfanyl)-λ5-phosphane has a molecular weight of 258.37 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-sulfanylidene-(thiiran-2-ylmethylsulfanyl)-λ5-phosphane is sourced from PubChem (CID 11043454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).