2-[(2R,3R)-3-ethyl-5-tritiooxolan-2-yl]ethyl-methyl-oxido-sulfanylidene-λ5-phosphane

C9H18O2PS- — CID 59524446

IUPAC2-[(2R,3R)-3-ethyl-5-tritiooxolan-2-yl]ethyl-methyl-oxido-sulfanylidene-λ5-phosphane
SMILES[3H]C1C[C@@H](CC)[C@@H](CCP(C)([O-])=S)O1
InChIInChI=1S/C9H19O2PS/c1-3-8-4-6-11-9(8)5-7-12(2,10)13/h8-9H,3-7H2,1-2H3,(H,10,13)/p-1/t8-,9-,12?/m1/s1/i6T/t6?,8-,9-,12?
InChIKeyJQFWRBVOAAEECS-JZEHYWTESA-M
MW223.29 g/mol
LogP1.58
Rot. Bonds4

About 2-[(2R,3R)-3-ethyl-5-tritiooxolan-2-yl]ethyl-methyl-oxido-sulfanylidene-λ5-phosphane

2-[(2R,3R)-3-ethyl-5-tritiooxolan-2-yl]ethyl-methyl-oxido-sulfanylidene-λ5-phosphane (PubChem CID 59524446) has the molecular formula C9H18O2PS- and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-[(2R,3R)-3-ethyl-5-tritiooxolan-2-yl]ethyl-methyl-oxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name2-[(2R,3R)-3-ethyl-5-tritiooxolan-2-yl]ethyl-methyl-oxido-sulfanylidene-λ5-phosphane
PubChem CID59524446
Molecular FormulaC9H18O2PS-
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name2-[(2R,3R)-3-ethyl-5-tritiooxolan-2-yl]ethyl-methyl-oxido-sulfanylidene-λ5-phosphane
SMILES[3H]C1C[C@@H](CC)[C@@H](CCP(C)([O-])=S)O1
InChIInChI=1S/C9H19O2PS/c1-3-8-4-6-11-9(8)5-7-12(2,10)13/h8-9H,3-7H2,1-2H3,(H,10,13)/p-1/t8-,9-,12?/m1/s1/i6T/t6?,8-,9-,12?
InChIKeyJQFWRBVOAAEECS-JZEHYWTESA-M
XLogP1.58
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.58
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-[(2R,3R)-3-ethyl-5-tritiooxolan-2-yl]ethyl-methyl-oxido-sulfanylidene-λ5-phosphane?
The IUPAC name of 2-[(2R,3R)-3-ethyl-5-tritiooxolan-2-yl]ethyl-methyl-oxido-sulfanylidene-λ5-phosphane (CID 59524446) is 2-[(2R,3R)-3-ethyl-5-tritiooxolan-2-yl]ethyl-methyl-oxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for 2-[(2R,3R)-3-ethyl-5-tritiooxolan-2-yl]ethyl-methyl-oxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for 2-[(2R,3R)-3-ethyl-5-tritiooxolan-2-yl]ethyl-methyl-oxido-sulfanylidene-λ5-phosphane is [3H]C1C[C@@H](CC)[C@@H](CCP(C)([O-])=S)O1.
What is the InChIKey of 2-[(2R,3R)-3-ethyl-5-tritiooxolan-2-yl]ethyl-methyl-oxido-sulfanylidene-λ5-phosphane?
The InChIKey is JQFWRBVOAAEECS-JZEHYWTESA-M. The full InChI is InChI=1S/C9H19O2PS/c1-3-8-4-6-11-9(8)5-7-12(2,10)13/h8-9H,3-7H2,1-2H3,(H,10,13)/p-1/t8-,9-,12?/m1/s1/i6T/t6?,8-,9-,12?.
What are the key properties of 2-[(2R,3R)-3-ethyl-5-tritiooxolan-2-yl]ethyl-methyl-oxido-sulfanylidene-λ5-phosphane?
2-[(2R,3R)-3-ethyl-5-tritiooxolan-2-yl]ethyl-methyl-oxido-sulfanylidene-λ5-phosphane has a molecular weight of 223.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-3-ethyl-5-tritiooxolan-2-yl]ethyl-methyl-oxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 59524446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).