lithium (E)-2-diethoxyphosphoryl-2-fluoro-1-methylsulfanylethenethiolate

C7H13FLiO3PS2 — CID 11817964

IUPAClithium (E)-2-diethoxyphosphoryl-2-fluoro-1-methylsulfanylethenethiolate
SMILESCCOP(=O)(OCC)/C(F)=C(\[S-])SC.[Li+]
InChIInChI=1S/C7H14FO3PS2.Li/c1-4-10-12(9,11-5-2)6(8)7(13)14-3;/h13H,4-5H2,1-3H3;/q;+1/p-1/b7-6+;
InChIKeyPRWONRQHTOZPJJ-UHDJGPCESA-M
MW266.22 g/mol
LogP0.26
Rot. Bonds6

About lithium (E)-2-diethoxyphosphoryl-2-fluoro-1-methylsulfanylethenethiolate

lithium (E)-2-diethoxyphosphoryl-2-fluoro-1-methylsulfanylethenethiolate (PubChem CID 11817964) has the molecular formula C7H13FLiO3PS2 and a molecular weight of 266.22 g/mol. Its IUPAC name is lithium (E)-2-diethoxyphosphoryl-2-fluoro-1-methylsulfanylethenethiolate.

Molecular Properties

Compound Namelithium (E)-2-diethoxyphosphoryl-2-fluoro-1-methylsulfanylethenethiolate
PubChem CID11817964
Molecular FormulaC7H13FLiO3PS2
Molecular Weight266.22 g/mol
Exact Mass266.02
IUPAC Namelithium (E)-2-diethoxyphosphoryl-2-fluoro-1-methylsulfanylethenethiolate
SMILESCCOP(=O)(OCC)/C(F)=C(\[S-])SC.[Li+]
InChIInChI=1S/C7H14FO3PS2.Li/c1-4-10-12(9,11-5-2)6(8)7(13)14-3;/h13H,4-5H2,1-3H3;/q;+1/p-1/b7-6+;
InChIKeyPRWONRQHTOZPJJ-UHDJGPCESA-M
XLogP0.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
(E)-2-diethoxyphosphoryl-1-ethoxy-2-fluoroethenolate
CID 134863006
(E)-1-diethoxyphosphoryl-1-fluoro-2,3-diiodoprop-1-ene
CID 10789609
bis(diethoxyphosphoryl)methanimine
CID 87803281
[(Z)-1-diethoxyphosphoryl-1-fluorobut-1-en-2-yl]sulfanylbenzene
CID 101038517
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
1-[[diazo(ethylsulfonyl)methyl]-ethoxyphosphoryl]oxyethane
CID 126586567
1-diethoxyphosphoryl-3-fluoropropan-1-one
CID 71349176
1-chloro-1-diethoxyphosphorylethene
CID 11481045
(Z)-1-diethoxyphosphoryl-3-fluorobut-2-ene
CID 15499028
(Z)-1-chloro-1-diethoxyphosphorylprop-1-ene
CID 10798622
diethoxyphosphorylcarbonyl(trihydroxy)phosphanium
CID 57080631

Frequently Asked Questions

What is the IUPAC name of lithium (E)-2-diethoxyphosphoryl-2-fluoro-1-methylsulfanylethenethiolate?
The IUPAC name of lithium (E)-2-diethoxyphosphoryl-2-fluoro-1-methylsulfanylethenethiolate (CID 11817964) is lithium (E)-2-diethoxyphosphoryl-2-fluoro-1-methylsulfanylethenethiolate.
What is the SMILES notation for lithium (E)-2-diethoxyphosphoryl-2-fluoro-1-methylsulfanylethenethiolate?
The canonical SMILES for lithium (E)-2-diethoxyphosphoryl-2-fluoro-1-methylsulfanylethenethiolate is CCOP(=O)(OCC)/C(F)=C(\[S-])SC.[Li+].
What is the InChIKey of lithium (E)-2-diethoxyphosphoryl-2-fluoro-1-methylsulfanylethenethiolate?
The InChIKey is PRWONRQHTOZPJJ-UHDJGPCESA-M. The full InChI is InChI=1S/C7H14FO3PS2.Li/c1-4-10-12(9,11-5-2)6(8)7(13)14-3;/h13H,4-5H2,1-3H3;/q;+1/p-1/b7-6+;.
What are the key properties of lithium (E)-2-diethoxyphosphoryl-2-fluoro-1-methylsulfanylethenethiolate?
lithium (E)-2-diethoxyphosphoryl-2-fluoro-1-methylsulfanylethenethiolate has a molecular weight of 266.22 g/mol, XLogP of 0.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (E)-2-diethoxyphosphoryl-2-fluoro-1-methylsulfanylethenethiolate is sourced from PubChem (CID 11817964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).