2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide

C10H20O5P2S2 — CID 23416328

IUPAC2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCC1(C)COP(=O)(SP2(=S)OCC(C)(C)CO2)OC1
InChIInChI=1S/C10H20O5P2S2/c1-9(2)5-12-16(11,13-6-9)19-17(18)14-7-10(3,4)8-15-17/h5-8H2,1-4H3
InChIKeyLRRPDKMAHFMULH-UHFFFAOYSA-N
MW346.35 g/mol
LogP4.20
Rot. Bonds2

About 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide

2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 23416328) has the molecular formula C10H20O5P2S2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID23416328
Molecular FormulaC10H20O5P2S2
Molecular Weight346.35 g/mol
Exact Mass346.02
IUPAC Name2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCC1(C)COP(=O)(SP2(=S)OCC(C)(C)CO2)OC1
InChIInChI=1S/C10H20O5P2S2/c1-9(2)5-12-16(11,13-6-9)19-17(18)14-7-10(3,4)8-15-17/h5-8H2,1-4H3
InChIKeyLRRPDKMAHFMULH-UHFFFAOYSA-N
XLogP4.20
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide with MolForge

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Launch Full Analysis

Related Compounds

2-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 13221629
2-[4-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]but-2-enylsulfanyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 123618486
2-(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 550049
(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl) 2,2-dimethylpropanedithioate
CID 102373418
(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl) 2,2-dimethylpropanedithioate
CID 11472056
1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N,N-bis[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]methanamine
CID 102064719
2-[[2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 59747014
5,5-dimethyl-2-(methylsulfanylmethyl)-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23415598
2-tert-butyl-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23261978
(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol
CID 18981617
2-[2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]ethoxy]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 54442923
N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)formamide
CID 71372379

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 23416328) is 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is CC1(C)COP(=O)(SP2(=S)OCC(C)(C)CO2)OC1.
What is the InChIKey of 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is LRRPDKMAHFMULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5P2S2/c1-9(2)5-12-16(11,13-6-9)19-17(18)14-7-10(3,4)8-15-17/h5-8H2,1-4H3.
What are the key properties of 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 346.35 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 23416328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).