[4-(2-ethoxy-2-oxoethyl)phenyl]sulfanylphosphinothious acid

C10H13O2PS2 — CID 141148187

IUPAC[4-(2-ethoxy-2-oxoethyl)phenyl]sulfanylphosphinothious acid
SMILESCCOC(=O)Cc1ccc(SPS)cc1
InChIInChI=1S/C10H13O2PS2/c1-2-12-10(11)7-8-3-5-9(6-4-8)15-13-14/h3-6,13-14H,2,7H2,1H3
InChIKeyLYFOTCYVRIZMIL-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.32
Rot. Bonds5

About [4-(2-ethoxy-2-oxoethyl)phenyl]sulfanylphosphinothious acid

[4-(2-ethoxy-2-oxoethyl)phenyl]sulfanylphosphinothious acid (PubChem CID 141148187) has the molecular formula C10H13O2PS2 and a molecular weight of 260.32 g/mol. Its IUPAC name is [4-(2-ethoxy-2-oxoethyl)phenyl]sulfanylphosphinothious acid.

Molecular Properties

Compound Name[4-(2-ethoxy-2-oxoethyl)phenyl]sulfanylphosphinothious acid
PubChem CID141148187
Molecular FormulaC10H13O2PS2
Molecular Weight260.32 g/mol
Exact Mass260.01
IUPAC Name[4-(2-ethoxy-2-oxoethyl)phenyl]sulfanylphosphinothious acid
SMILESCCOC(=O)Cc1ccc(SPS)cc1
InChIInChI=1S/C10H13O2PS2/c1-2-12-10(11)7-8-3-5-9(6-4-8)15-13-14/h3-6,13-14H,2,7H2,1H3
InChIKeyLYFOTCYVRIZMIL-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-phenylacetate
CID 7590
ethyl 2-[4-(3-sulfanylprop-1-ynyl)phenyl]acetate
CID 169487384
ethyl 2-phenylacetate;hydrate
CID 141257001
ethyl 2-(4-trimethylsilylphenyl)acetate
CID 125466611
CID 57459210
CID 57459210
ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane
CID 23349504
ethyl 2-(4-isocyanophenyl)acetate
CID 20780504
ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate
CID 10446326
4-(2-ethoxy-2-oxoethyl)benzenesulfinate
CID 144684303
CID 58447889
CID 58447889
ethyl 2-[4-(diaminomethylideneamino)phenyl]acetate
CID 119087282
ethyl 2-[4-[(1R)-1-aminoethyl]phenyl]acetate;hydrochloride
CID 155291481

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxy-2-oxoethyl)phenyl]sulfanylphosphinothious acid?
The IUPAC name of [4-(2-ethoxy-2-oxoethyl)phenyl]sulfanylphosphinothious acid (CID 141148187) is [4-(2-ethoxy-2-oxoethyl)phenyl]sulfanylphosphinothious acid.
What is the SMILES notation for [4-(2-ethoxy-2-oxoethyl)phenyl]sulfanylphosphinothious acid?
The canonical SMILES for [4-(2-ethoxy-2-oxoethyl)phenyl]sulfanylphosphinothious acid is CCOC(=O)Cc1ccc(SPS)cc1.
What is the InChIKey of [4-(2-ethoxy-2-oxoethyl)phenyl]sulfanylphosphinothious acid?
The InChIKey is LYFOTCYVRIZMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O2PS2/c1-2-12-10(11)7-8-3-5-9(6-4-8)15-13-14/h3-6,13-14H,2,7H2,1H3.
What are the key properties of [4-(2-ethoxy-2-oxoethyl)phenyl]sulfanylphosphinothious acid?
[4-(2-ethoxy-2-oxoethyl)phenyl]sulfanylphosphinothious acid has a molecular weight of 260.32 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxy-2-oxoethyl)phenyl]sulfanylphosphinothious acid is sourced from PubChem (CID 141148187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).