2-chloro-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane

C5H10ClO2PS — CID 12607644

IUPAC2-chloro-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
SMILESCC1(C)COP(=S)(Cl)OC1
InChIInChI=1S/C5H10ClO2PS/c1-5(2)3-7-9(6,10)8-4-5/h3-4H2,1-2H3
InChIKeyIGBQYZFXWCPCLR-UHFFFAOYSA-N
MW200.63 g/mol
LogP2.52
Rot. Bonds

About 2-chloro-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane

2-chloro-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane (PubChem CID 12607644) has the molecular formula C5H10ClO2PS and a molecular weight of 200.63 g/mol. Its IUPAC name is 2-chloro-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane.

Molecular Properties

Compound Name2-chloro-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
PubChem CID12607644
Molecular FormulaC5H10ClO2PS
Molecular Weight200.63 g/mol
Exact Mass199.98
IUPAC Name2-chloro-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
SMILESCC1(C)COP(=S)(Cl)OC1
InChIInChI=1S/C5H10ClO2PS/c1-5(2)3-7-9(6,10)8-4-5/h3-4H2,1-2H3
InChIKeyIGBQYZFXWCPCLR-UHFFFAOYSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane?
The IUPAC name of 2-chloro-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane (CID 12607644) is 2-chloro-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane.
What is the SMILES notation for 2-chloro-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane?
The canonical SMILES for 2-chloro-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane is CC1(C)COP(=S)(Cl)OC1.
What is the InChIKey of 2-chloro-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane?
The InChIKey is IGBQYZFXWCPCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClO2PS/c1-5(2)3-7-9(6,10)8-4-5/h3-4H2,1-2H3.
What are the key properties of 2-chloro-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane?
2-chloro-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane has a molecular weight of 200.63 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane is sourced from PubChem (CID 12607644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).