2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane

C2H5O3PS — CID 23418514

IUPAC2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane
SMILESOP1(=S)OCCO1
InChIInChI=1S/C2H5O3PS/c3-6(7)4-1-2-5-6/h1-2H2,(H,3,7)
InChIKeyOMMLIKJVWCCRNL-UHFFFAOYSA-N
MW140.10 g/mol
LogP0.25
Rot. Bonds

About 2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane

2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane (PubChem CID 23418514) has the molecular formula C2H5O3PS and a molecular weight of 140.10 g/mol. Its IUPAC name is 2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane.

Molecular Properties

Compound Name2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane
PubChem CID23418514
Molecular FormulaC2H5O3PS
Molecular Weight140.10 g/mol
Exact Mass139.97
IUPAC Name2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane
SMILESOP1(=S)OCCO1
InChIInChI=1S/C2H5O3PS/c3-6(7)4-1-2-5-6/h1-2H2,(H,3,7)
InChIKeyOMMLIKJVWCCRNL-UHFFFAOYSA-N
XLogP0.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 50.25
H-Bond Donors ≤ 51
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-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane?
The IUPAC name of 2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane (CID 23418514) is 2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane.
What is the SMILES notation for 2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane?
The canonical SMILES for 2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane is OP1(=S)OCCO1.
What is the InChIKey of 2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane?
The InChIKey is OMMLIKJVWCCRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O3PS/c3-6(7)4-1-2-5-6/h1-2H2,(H,3,7).
What are the key properties of 2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane?
2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane has a molecular weight of 140.10 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane is sourced from PubChem (CID 23418514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).