5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane

C5H10O2PS2- — CID 102508813

IUPAC5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane
SMILESCC1(C)COP(=S)([S-])OC1
InChIInChI=1S/C5H11O2PS2/c1-5(2)3-6-8(9,10)7-4-5/h3-4H2,1-2H3,(H,9,10)/p-1
InChIKeyMKSFKVXITRIJQB-UHFFFAOYSA-M
MW197.24 g/mol
LogP1.83
Rot. Bonds

About 5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane

5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane (PubChem CID 102508813) has the molecular formula C5H10O2PS2- and a molecular weight of 197.24 g/mol. Its IUPAC name is 5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane.

Molecular Properties

Compound Name5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane
PubChem CID102508813
Molecular FormulaC5H10O2PS2-
Molecular Weight197.24 g/mol
Exact Mass196.99
IUPAC Name5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane
SMILESCC1(C)COP(=S)([S-])OC1
InChIInChI=1S/C5H11O2PS2/c1-5(2)3-6-8(9,10)7-4-5/h3-4H2,1-2H3,(H,9,10)/p-1
InChIKeyMKSFKVXITRIJQB-UHFFFAOYSA-M
XLogP1.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

1,3,2-Dioxaphosphorinane, 2-chloro-5,5-dimethyl-
CID 75508
1,3,2-Dioxaphosphorinane, 5,5-dimethyl-, 2-oxide
CID 6335186
1,3,2-Dioxaphosphorinane, 2-methoxy-5,5-dimethyl-
CID 70500
1,3,2-Dioxaphosphorinane, 2-ethoxy-5,5-dimethyl-
CID 70512
1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-sulfide
CID 414926
2-Chloro-2-thioxo-5,5-dimethyl-1,3,2-dioxaphosphorinane
CID 12607644
5,5-Dimethyl-1,3,2-dioxaphosphorinane
CID 12730249
5,5-Dimethyl-2-methylsulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 23416330
2,5,5-Trimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 13608487
2-Chloro-5,5-dimethyl-2-selanylidene-1,3,2lambda5-dioxaphosphinane
CID 15621921
2-Chloro-2-oxy-5,5-dimethyl-1,3,2-dioxaphosphorinane
CID 87522037
1,3,2-Dioxaphosphorinane, 2-(2-fluoroethoxy)-5,5-dimethyl-
CID 534747

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane?
The IUPAC name of 5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane (CID 102508813) is 5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane.
What is the SMILES notation for 5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane?
The canonical SMILES for 5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane is CC1(C)COP(=S)([S-])OC1.
What is the InChIKey of 5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane?
The InChIKey is MKSFKVXITRIJQB-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11O2PS2/c1-5(2)3-6-8(9,10)7-4-5/h3-4H2,1-2H3,(H,9,10)/p-1.
What are the key properties of 5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane?
5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane has a molecular weight of 197.24 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphosphinane is sourced from PubChem (CID 102508813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).