5-methyl-2-sulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane

C4H9O2PS2 — CID 15844207

IUPAC5-methyl-2-sulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
SMILESCC1COP(=S)(S)OC1
InChIInChI=1S/C4H9O2PS2/c1-4-2-5-7(8,9)6-3-4/h4H,2-3H2,1H3,(H,8,9)
InChIKeyISBRZPOGXHIMCL-UHFFFAOYSA-N
MW184.22 g/mol
LogP1.82
Rot. Bonds

About 5-methyl-2-sulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane

5-methyl-2-sulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane (PubChem CID 15844207) has the molecular formula C4H9O2PS2 and a molecular weight of 184.22 g/mol. Its IUPAC name is 5-methyl-2-sulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane.

Molecular Properties

Compound Name5-methyl-2-sulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
PubChem CID15844207
Molecular FormulaC4H9O2PS2
Molecular Weight184.22 g/mol
Exact Mass183.98
IUPAC Name5-methyl-2-sulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
SMILESCC1COP(=S)(S)OC1
InChIInChI=1S/C4H9O2PS2/c1-4-2-5-7(8,9)6-3-4/h4H,2-3H2,1H3,(H,8,9)
InChIKeyISBRZPOGXHIMCL-UHFFFAOYSA-N
XLogP1.82
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-sulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane?
The IUPAC name of 5-methyl-2-sulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane (CID 15844207) is 5-methyl-2-sulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane.
What is the SMILES notation for 5-methyl-2-sulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane?
The canonical SMILES for 5-methyl-2-sulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane is CC1COP(=S)(S)OC1.
What is the InChIKey of 5-methyl-2-sulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane?
The InChIKey is ISBRZPOGXHIMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O2PS2/c1-4-2-5-7(8,9)6-3-4/h4H,2-3H2,1H3,(H,8,9).
What are the key properties of 5-methyl-2-sulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane?
5-methyl-2-sulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane has a molecular weight of 184.22 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-sulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane is sourced from PubChem (CID 15844207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).