(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl) 2,2-dimethylpropanedithioate

C10H19O3PS2 — CID 102373418

IUPAC(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl) 2,2-dimethylpropanedithioate
SMILESCC1(C)COP(=O)(SC(=S)C(C)(C)C)OC1
InChIInChI=1S/C10H19O3PS2/c1-9(2,3)8(15)16-14(11)12-6-10(4,5)7-13-14/h6-7H2,1-5H3
InChIKeyUZFUHDLRVLONFS-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.27
Rot. Bonds1

About (5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl) 2,2-dimethylpropanedithioate

(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl) 2,2-dimethylpropanedithioate (PubChem CID 102373418) has the molecular formula C10H19O3PS2 and a molecular weight of 282.37 g/mol. Its IUPAC name is (5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl) 2,2-dimethylpropanedithioate.

Molecular Properties

Compound Name(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl) 2,2-dimethylpropanedithioate
PubChem CID102373418
Molecular FormulaC10H19O3PS2
Molecular Weight282.37 g/mol
Exact Mass282.05
IUPAC Name(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl) 2,2-dimethylpropanedithioate
SMILESCC1(C)COP(=O)(SC(=S)C(C)(C)C)OC1
InChIInChI=1S/C10H19O3PS2/c1-9(2,3)8(15)16-14(11)12-6-10(4,5)7-13-14/h6-7H2,1-5H3
InChIKeyUZFUHDLRVLONFS-UHFFFAOYSA-N
XLogP4.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl) 2,2-dimethylpropanedithioate
CID 11472056
2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23416328
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-[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
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-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 13221629
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
S-methyl N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-methylcarbamothioate
CID 130456089
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

Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl) 2,2-dimethylpropanedithioate?
The IUPAC name of (5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl) 2,2-dimethylpropanedithioate (CID 102373418) is (5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl) 2,2-dimethylpropanedithioate.
What is the SMILES notation for (5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl) 2,2-dimethylpropanedithioate?
The canonical SMILES for (5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl) 2,2-dimethylpropanedithioate is CC1(C)COP(=O)(SC(=S)C(C)(C)C)OC1.
What is the InChIKey of (5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl) 2,2-dimethylpropanedithioate?
The InChIKey is UZFUHDLRVLONFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O3PS2/c1-9(2,3)8(15)16-14(11)12-6-10(4,5)7-13-14/h6-7H2,1-5H3.
What are the key properties of (5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl) 2,2-dimethylpropanedithioate?
(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl) 2,2-dimethylpropanedithioate has a molecular weight of 282.37 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl) 2,2-dimethylpropanedithioate is sourced from PubChem (CID 102373418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).