2-chloro-4,4,5,5-tetramethyl-2-sulfanylidene-1,3,2λ5-dioxaphospholane

C6H12ClO2PS — CID 23416203

IUPAC2-chloro-4,4,5,5-tetramethyl-2-sulfanylidene-1,3,2λ5-dioxaphospholane
SMILESCC1(C)OP(=S)(Cl)OC1(C)C
InChIInChI=1S/C6H12ClO2PS/c1-5(2)6(3,4)9-10(7,11)8-5/h1-4H3
InChIKeyLRIPVZHOMQZIFO-UHFFFAOYSA-N
MW214.65 g/mol
LogP3.05
Rot. Bonds

About 2-chloro-4,4,5,5-tetramethyl-2-sulfanylidene-1,3,2λ5-dioxaphospholane

2-chloro-4,4,5,5-tetramethyl-2-sulfanylidene-1,3,2λ5-dioxaphospholane (PubChem CID 23416203) has the molecular formula C6H12ClO2PS and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-chloro-4,4,5,5-tetramethyl-2-sulfanylidene-1,3,2λ5-dioxaphospholane.

Molecular Properties

Compound Name2-chloro-4,4,5,5-tetramethyl-2-sulfanylidene-1,3,2λ5-dioxaphospholane
PubChem CID23416203
Molecular FormulaC6H12ClO2PS
Molecular Weight214.65 g/mol
Exact Mass214.00
IUPAC Name2-chloro-4,4,5,5-tetramethyl-2-sulfanylidene-1,3,2λ5-dioxaphospholane
SMILESCC1(C)OP(=S)(Cl)OC1(C)C
InChIInChI=1S/C6H12ClO2PS/c1-5(2)6(3,4)9-10(7,11)8-5/h1-4H3
InChIKeyLRIPVZHOMQZIFO-UHFFFAOYSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 53.05
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-4,4,5,5-tetramethyl-2-sulfanylidene-1,3,2λ5-dioxaphospholane?
The IUPAC name of 2-chloro-4,4,5,5-tetramethyl-2-sulfanylidene-1,3,2λ5-dioxaphospholane (CID 23416203) is 2-chloro-4,4,5,5-tetramethyl-2-sulfanylidene-1,3,2λ5-dioxaphospholane.
What is the SMILES notation for 2-chloro-4,4,5,5-tetramethyl-2-sulfanylidene-1,3,2λ5-dioxaphospholane?
The canonical SMILES for 2-chloro-4,4,5,5-tetramethyl-2-sulfanylidene-1,3,2λ5-dioxaphospholane is CC1(C)OP(=S)(Cl)OC1(C)C.
What is the InChIKey of 2-chloro-4,4,5,5-tetramethyl-2-sulfanylidene-1,3,2λ5-dioxaphospholane?
The InChIKey is LRIPVZHOMQZIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClO2PS/c1-5(2)6(3,4)9-10(7,11)8-5/h1-4H3.
What are the key properties of 2-chloro-4,4,5,5-tetramethyl-2-sulfanylidene-1,3,2λ5-dioxaphospholane?
2-chloro-4,4,5,5-tetramethyl-2-sulfanylidene-1,3,2λ5-dioxaphospholane has a molecular weight of 214.65 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,4,5,5-tetramethyl-2-sulfanylidene-1,3,2λ5-dioxaphospholane is sourced from PubChem (CID 23416203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).