decoxy(octoxy)phosphinothious acid

C18H39O2PS — CID 54152589

IUPACdecoxy(octoxy)phosphinothious acid
SMILESCCCCCCCCCCOP(S)OCCCCCCCC
InChIInChI=1S/C18H39O2PS/c1-3-5-7-9-11-12-14-16-18-20-21(22)19-17-15-13-10-8-6-4-2/h22H,3-18H2,1-2H3
InChIKeyOITPJHKDOJKANA-UHFFFAOYSA-N
MW350.55 g/mol
LogP7.68
Rot. Bonds18

About decoxy(octoxy)phosphinothious acid

decoxy(octoxy)phosphinothious acid (PubChem CID 54152589) has the molecular formula C18H39O2PS and a molecular weight of 350.55 g/mol. Its IUPAC name is decoxy(octoxy)phosphinothious acid.

Molecular Properties

Compound Namedecoxy(octoxy)phosphinothious acid
PubChem CID54152589
Molecular FormulaC18H39O2PS
Molecular Weight350.55 g/mol
Exact Mass350.24
IUPAC Namedecoxy(octoxy)phosphinothious acid
SMILESCCCCCCCCCCOP(S)OCCCCCCCC
InChIInChI=1S/C18H39O2PS/c1-3-5-7-9-11-12-14-16-18-20-21(22)19-17-15-13-10-8-6-4-2/h22H,3-18H2,1-2H3
InChIKeyOITPJHKDOJKANA-UHFFFAOYSA-N
XLogP7.68
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

triheptadecyl phosphite
CID 23435031
diethyl(hexoxy)phosphane
CID 87283104
pentyl dihydrogen phosphite;zinc
CID 88839337
disodium;hexyl phosphite
CID 139691830
chloro(didodecoxy)phosphane
CID 54405346
didecyl hydrogen phosphite
CID 14151265
hexoxy(hexylsulfanyl)phosphinothious acid
CID 87318510
tetrakis(ditridecyl phosphite);titanium(4+)
CID 160640114
lithium dioctyl phosphite
CID 174541245
butyl(dioctoxy)phosphane
CID 139899840
azane;hexyl dihydrogen phosphite
CID 173357133
sodium didodecyl phosphite
CID 23710886

Frequently Asked Questions

What is the IUPAC name of decoxy(octoxy)phosphinothious acid?
The IUPAC name of decoxy(octoxy)phosphinothious acid (CID 54152589) is decoxy(octoxy)phosphinothious acid.
What is the SMILES notation for decoxy(octoxy)phosphinothious acid?
The canonical SMILES for decoxy(octoxy)phosphinothious acid is CCCCCCCCCCOP(S)OCCCCCCCC.
What is the InChIKey of decoxy(octoxy)phosphinothious acid?
The InChIKey is OITPJHKDOJKANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39O2PS/c1-3-5-7-9-11-12-14-16-18-20-21(22)19-17-15-13-10-8-6-4-2/h22H,3-18H2,1-2H3.
What are the key properties of decoxy(octoxy)phosphinothious acid?
decoxy(octoxy)phosphinothious acid has a molecular weight of 350.55 g/mol, XLogP of 7.68, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decoxy(octoxy)phosphinothious acid is sourced from PubChem (CID 54152589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).