[hydroxy(methyl)phosphinothioyl]oxymethyl 2-methylprop-2-enoate

C6H11O4PS — CID 20684939

IUPAC[hydroxy(methyl)phosphinothioyl]oxymethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCOP(C)(O)=S
InChIInChI=1S/C6H11O4PS/c1-5(2)6(7)9-4-10-11(3,8)12/h1,4H2,2-3H3,(H,8,12)
InChIKeyWQVOAYFDSHZLGZ-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.01
Rot. Bonds4

About [hydroxy(methyl)phosphinothioyl]oxymethyl 2-methylprop-2-enoate

[hydroxy(methyl)phosphinothioyl]oxymethyl 2-methylprop-2-enoate (PubChem CID 20684939) has the molecular formula C6H11O4PS and a molecular weight of 210.19 g/mol. Its IUPAC name is [hydroxy(methyl)phosphinothioyl]oxymethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[hydroxy(methyl)phosphinothioyl]oxymethyl 2-methylprop-2-enoate
PubChem CID20684939
Molecular FormulaC6H11O4PS
Molecular Weight210.19 g/mol
Exact Mass210.01
IUPAC Name[hydroxy(methyl)phosphinothioyl]oxymethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCOP(C)(O)=S
InChIInChI=1S/C6H11O4PS/c1-5(2)6(7)9-4-10-11(3,8)12/h1,4H2,2-3H3,(H,8,12)
InChIKeyWQVOAYFDSHZLGZ-UHFFFAOYSA-N
XLogP1.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

18-dihydroxyphosphinothioyloxyoctadecyl 2-methylprop-2-enoate
CID 22708493
2-[hydroxy(2-methylprop-2-enoyloxymethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 59319478
2-methylprop-2-enoyloxymethyl (trimethylazaniumyl)methyl phosphate
CID 22947974
dihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate
CID 175310560
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
CID 87531056
4-(2-methylprop-2-enoyloxymethoxy)butoxymethyl 2-methylprop-2-enoate
CID 58944381
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
ethyl 2-methylprop-2-enoate
CID 130475774
hydroxymethyl 2-methylprop-2-enoate
CID 159274421
butane;hydroxy-(2-methylprop-2-enoyloxymethoxy)-oxophosphanium
CID 118588536
2-aminoethyl 2-methylprop-2-enoate;phosphoric acid
CID 86256248
methyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphinic acid
CID 130373144

Frequently Asked Questions

What is the IUPAC name of [hydroxy(methyl)phosphinothioyl]oxymethyl 2-methylprop-2-enoate?
The IUPAC name of [hydroxy(methyl)phosphinothioyl]oxymethyl 2-methylprop-2-enoate (CID 20684939) is [hydroxy(methyl)phosphinothioyl]oxymethyl 2-methylprop-2-enoate.
What is the SMILES notation for [hydroxy(methyl)phosphinothioyl]oxymethyl 2-methylprop-2-enoate?
The canonical SMILES for [hydroxy(methyl)phosphinothioyl]oxymethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCOP(C)(O)=S.
What is the InChIKey of [hydroxy(methyl)phosphinothioyl]oxymethyl 2-methylprop-2-enoate?
The InChIKey is WQVOAYFDSHZLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O4PS/c1-5(2)6(7)9-4-10-11(3,8)12/h1,4H2,2-3H3,(H,8,12).
What are the key properties of [hydroxy(methyl)phosphinothioyl]oxymethyl 2-methylprop-2-enoate?
[hydroxy(methyl)phosphinothioyl]oxymethyl 2-methylprop-2-enoate has a molecular weight of 210.19 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(methyl)phosphinothioyl]oxymethyl 2-methylprop-2-enoate is sourced from PubChem (CID 20684939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).