2-dimethylphosphinothioyl-2-hydroxyacetic acid

C4H9O3PS — CID 15215662

IUPAC2-dimethylphosphinothioyl-2-hydroxyacetic acid
SMILESCP(C)(=S)C(O)C(=O)O
InChIInChI=1S/C4H9O3PS/c1-8(2,9)4(7)3(5)6/h4,7H,1-2H3,(H,5,6)
InChIKeyQQEMMVRTOUFDED-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.13
Rot. Bonds2

About 2-dimethylphosphinothioyl-2-hydroxyacetic acid

2-dimethylphosphinothioyl-2-hydroxyacetic acid (PubChem CID 15215662) has the molecular formula C4H9O3PS and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-dimethylphosphinothioyl-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-dimethylphosphinothioyl-2-hydroxyacetic acid
PubChem CID15215662
Molecular FormulaC4H9O3PS
Molecular Weight168.15 g/mol
Exact Mass168.00
IUPAC Name2-dimethylphosphinothioyl-2-hydroxyacetic acid
SMILESCP(C)(=S)C(O)C(=O)O
InChIInChI=1S/C4H9O3PS/c1-8(2,9)4(7)3(5)6/h4,7H,1-2H3,(H,5,6)
InChIKeyQQEMMVRTOUFDED-UHFFFAOYSA-N
XLogP0.13
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-[hydroxy(methyl)phosphoryl]acetic acid
CID 13309452
2-hydroxypropanoic acid
CID 87075455
pentaheptacontacalcium;(2-hydroxypropanoic acid)
CID 173046474
bis(2-hydroxypropanoic acid);titanium
CID 173417954
CID 131877347
CID 131877347
calcium hexakis(2-hydroxypropanoic acid)
CID 162368187
2-hydroxypropanoic acid;mercury
CID 88512020
CID 123133976
CID 123133976
CID 129137181
CID 129137181
2-hydroxypropanoic acid;tetrahydrate
CID 141343914
CID 11776805
CID 11776805
tetrakis(2-hydroxypropanoic acid);manganese
CID 167442579

Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphinothioyl-2-hydroxyacetic acid?
The IUPAC name of 2-dimethylphosphinothioyl-2-hydroxyacetic acid (CID 15215662) is 2-dimethylphosphinothioyl-2-hydroxyacetic acid.
What is the SMILES notation for 2-dimethylphosphinothioyl-2-hydroxyacetic acid?
The canonical SMILES for 2-dimethylphosphinothioyl-2-hydroxyacetic acid is CP(C)(=S)C(O)C(=O)O.
What is the InChIKey of 2-dimethylphosphinothioyl-2-hydroxyacetic acid?
The InChIKey is QQEMMVRTOUFDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O3PS/c1-8(2,9)4(7)3(5)6/h4,7H,1-2H3,(H,5,6).
What are the key properties of 2-dimethylphosphinothioyl-2-hydroxyacetic acid?
2-dimethylphosphinothioyl-2-hydroxyacetic acid has a molecular weight of 168.15 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphinothioyl-2-hydroxyacetic acid is sourced from PubChem (CID 15215662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).