2-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane

C10H20O4P2S4 — CID 13221629

IUPAC2-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
SMILESCC1(C)COP(=S)(SSP2(=S)OCC(C)(C)CO2)OC1
InChIInChI=1S/C10H20O4P2S4/c1-9(2)5-11-15(17,12-6-9)19-20-16(18)13-7-10(3,4)8-14-16/h5-8H2,1-4H3
InChIKeyJNAPQEILLCWIAW-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.96
Rot. Bonds3

About 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane

2-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane (PubChem CID 13221629) has the molecular formula C10H20O4P2S4 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane.

Molecular Properties

Compound Name2-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
PubChem CID13221629
Molecular FormulaC10H20O4P2S4
Molecular Weight394.48 g/mol
Exact Mass393.97
IUPAC Name2-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
SMILESCC1(C)COP(=S)(SSP2(=S)OCC(C)(C)CO2)OC1
InChIInChI=1S/C10H20O4P2S4/c1-9(2)5-11-15(17,12-6-9)19-20-16(18)13-7-10(3,4)8-14-16/h5-8H2,1-4H3
InChIKeyJNAPQEILLCWIAW-UHFFFAOYSA-N
XLogP4.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane with MolForge

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Related Compounds

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-(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-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl) 2,2-dimethylpropanedithioate
CID 11472056
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
5,5-dimethyl-2-(methylsulfanylmethyl)-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23415598
2-[[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
CID 126536393
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-hydroxy-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane
CID 151655759
N-butyl-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine
CID 70524620
2-tert-butyl-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23261978
N,N,5,5-tetramethyl-2-selanylidene-1,3,2λ5-dioxaphosphinan-2-amine
CID 23416273
(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl) 2,2-dimethylpropanedithioate
CID 102373418

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane?
The IUPAC name of 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane (CID 13221629) is 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane.
What is the SMILES notation for 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane?
The canonical SMILES for 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane is CC1(C)COP(=S)(SSP2(=S)OCC(C)(C)CO2)OC1.
What is the InChIKey of 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane?
The InChIKey is JNAPQEILLCWIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4P2S4/c1-9(2)5-11-15(17,12-6-9)19-20-16(18)13-7-10(3,4)8-14-16/h5-8H2,1-4H3.
What are the key properties of 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane?
2-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane has a molecular weight of 394.48 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane is sourced from PubChem (CID 13221629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).