tris(2-ethylsulfanylethyl) phosphite

C12H27O3PS3 — CID 23280576

IUPACtris(2-ethylsulfanylethyl) phosphite
SMILESCCSCCOP(OCCSCC)OCCSCC
InChIInChI=1S/C12H27O3PS3/c1-4-17-10-7-13-16(14-8-11-18-5-2)15-9-12-19-6-3/h4-12H2,1-3H3
InChIKeyCUWXHDSUEWRNAH-UHFFFAOYSA-N
MW346.52 g/mol
LogP4.52
Rot. Bonds15

About tris(2-ethylsulfanylethyl) phosphite

tris(2-ethylsulfanylethyl) phosphite (PubChem CID 23280576) has the molecular formula C12H27O3PS3 and a molecular weight of 346.52 g/mol. Its IUPAC name is tris(2-ethylsulfanylethyl) phosphite.

Molecular Properties

Compound Nametris(2-ethylsulfanylethyl) phosphite
PubChem CID23280576
Molecular FormulaC12H27O3PS3
Molecular Weight346.52 g/mol
Exact Mass346.09
IUPAC Nametris(2-ethylsulfanylethyl) phosphite
SMILESCCSCCOP(OCCSCC)OCCSCC
InChIInChI=1S/C12H27O3PS3/c1-4-17-10-7-13-16(14-8-11-18-5-2)15-9-12-19-6-3/h4-12H2,1-3H3
InChIKeyCUWXHDSUEWRNAH-UHFFFAOYSA-N
XLogP4.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Disulfoton
CID 3118
Phorate
CID 4790
Demeton-S
CID 24723
Thiometon
CID 12541
Oxydisulfoton
CID 17242
Metasystox
CID 24692
Demeton-O
CID 9273
Demeton-O-methyl
CID 13346
Isothioate
CID 37490
O,O-Diethyl O-2-ethylthioethyl phosphate
CID 89979
O,O-Diethyl O-2-ethylsulfinylethyl phosphorothioate
CID 21358
Demephion-O
CID 115123

Frequently Asked Questions

What is the IUPAC name of tris(2-ethylsulfanylethyl) phosphite?
The IUPAC name of tris(2-ethylsulfanylethyl) phosphite (CID 23280576) is tris(2-ethylsulfanylethyl) phosphite.
What is the SMILES notation for tris(2-ethylsulfanylethyl) phosphite?
The canonical SMILES for tris(2-ethylsulfanylethyl) phosphite is CCSCCOP(OCCSCC)OCCSCC.
What is the InChIKey of tris(2-ethylsulfanylethyl) phosphite?
The InChIKey is CUWXHDSUEWRNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O3PS3/c1-4-17-10-7-13-16(14-8-11-18-5-2)15-9-12-19-6-3/h4-12H2,1-3H3.
What are the key properties of tris(2-ethylsulfanylethyl) phosphite?
tris(2-ethylsulfanylethyl) phosphite has a molecular weight of 346.52 g/mol, XLogP of 4.52, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-ethylsulfanylethyl) phosphite is sourced from PubChem (CID 23280576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).