1-[hydroxy(propoxy)phosphinothioyl]oxypropylphosphonic acid

C6H16O6P2S — CID 87173736

IUPAC1-[hydroxy(propoxy)phosphinothioyl]oxypropylphosphonic acid
SMILESCCCOP(O)(=S)OC(CC)P(=O)(O)O
InChIInChI=1S/C6H16O6P2S/c1-3-5-11-14(10,15)12-6(4-2)13(7,8)9/h6H,3-5H2,1-2H3,(H,10,15)(H2,7,8,9)
InChIKeyHDOYAMZNCJHPSL-UHFFFAOYSA-N
MW278.20 g/mol
LogP1.56
Rot. Bonds7

About 1-[hydroxy(propoxy)phosphinothioyl]oxypropylphosphonic acid

1-[hydroxy(propoxy)phosphinothioyl]oxypropylphosphonic acid (PubChem CID 87173736) has the molecular formula C6H16O6P2S and a molecular weight of 278.20 g/mol. Its IUPAC name is 1-[hydroxy(propoxy)phosphinothioyl]oxypropylphosphonic acid.

Molecular Properties

Compound Name1-[hydroxy(propoxy)phosphinothioyl]oxypropylphosphonic acid
PubChem CID87173736
Molecular FormulaC6H16O6P2S
Molecular Weight278.20 g/mol
Exact Mass278.01
IUPAC Name1-[hydroxy(propoxy)phosphinothioyl]oxypropylphosphonic acid
SMILESCCCOP(O)(=S)OC(CC)P(=O)(O)O
InChIInChI=1S/C6H16O6P2S/c1-3-5-11-14(10,15)12-6(4-2)13(7,8)9/h6H,3-5H2,1-2H3,(H,10,15)(H2,7,8,9)
InChIKeyHDOYAMZNCJHPSL-UHFFFAOYSA-N
XLogP1.56
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[hydroxy(propoxy)phosphinothioyl]oxypentanedioic acid
CID 10902197
pentan-3-yl propyl hydrogen phosphate
CID 151314588
dipropoxyphosphorylmethylphosphonic acid
CID 57255852
[2-ethoxy-1-[hydroxy(propoxy)phosphoryl]-2-oxoethyl]-propoxyphosphinic acid
CID 87375656
1-aminopropyl(propoxy)phosphinic acid;butane
CID 88813664
2-[2-[2-[2-[2-[2-[hydroxy(pentan-3-yloxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl propyl hydrogen phosphate
CID 134318658
[hexoxy(hydroxy)phosphinothioyl]oxy dihydrogen phosphate
CID 88808083
N-hexadecyl-6-[hydroxy(propan-2-yloxy)phosphinothioyl]oxyhexanamide
CID 177289166
butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 23335262
butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788
propyl phosphate;bis(tetramethylphosphanium)
CID 87474534
hydroxy-pentoxy-propylperoxy-sulfanylidene-λ5-phosphane
CID 151457412

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy(propoxy)phosphinothioyl]oxypropylphosphonic acid?
The IUPAC name of 1-[hydroxy(propoxy)phosphinothioyl]oxypropylphosphonic acid (CID 87173736) is 1-[hydroxy(propoxy)phosphinothioyl]oxypropylphosphonic acid.
What is the SMILES notation for 1-[hydroxy(propoxy)phosphinothioyl]oxypropylphosphonic acid?
The canonical SMILES for 1-[hydroxy(propoxy)phosphinothioyl]oxypropylphosphonic acid is CCCOP(O)(=S)OC(CC)P(=O)(O)O.
What is the InChIKey of 1-[hydroxy(propoxy)phosphinothioyl]oxypropylphosphonic acid?
The InChIKey is HDOYAMZNCJHPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O6P2S/c1-3-5-11-14(10,15)12-6(4-2)13(7,8)9/h6H,3-5H2,1-2H3,(H,10,15)(H2,7,8,9).
What are the key properties of 1-[hydroxy(propoxy)phosphinothioyl]oxypropylphosphonic acid?
1-[hydroxy(propoxy)phosphinothioyl]oxypropylphosphonic acid has a molecular weight of 278.20 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy(propoxy)phosphinothioyl]oxypropylphosphonic acid is sourced from PubChem (CID 87173736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).