2-ethylsulfanylethoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane

C5H13O2PS2 — CID 154166943

IUPAC2-ethylsulfanylethoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane
SMILESCCSCCOP(C)(O)=S
InChIInChI=1S/C5H13O2PS2/c1-3-10-5-4-7-8(2,6)9/h3-5H2,1-2H3,(H,6,9)
InChIKeyZRYDHAFGRHCVGE-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.69
Rot. Bonds5

About 2-ethylsulfanylethoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane

2-ethylsulfanylethoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane (PubChem CID 154166943) has the molecular formula C5H13O2PS2 and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-ethylsulfanylethoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name2-ethylsulfanylethoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane
PubChem CID154166943
Molecular FormulaC5H13O2PS2
Molecular Weight200.26 g/mol
Exact Mass200.01
IUPAC Name2-ethylsulfanylethoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane
SMILESCCSCCOP(C)(O)=S
InChIInChI=1S/C5H13O2PS2/c1-3-10-5-4-7-8(2,6)9/h3-5H2,1-2H3,(H,6,9)
InChIKeyZRYDHAFGRHCVGE-UHFFFAOYSA-N
XLogP1.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.69
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'}

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Related Compounds

Disulfoton
CID 3118
Thiometon
CID 12541
Demeton-O
CID 9273
Demeton-O-methyl
CID 13346
Demephion-O
CID 115123
V-sub x
CID 92808
O-Ethyl S-(2-(ethylthio)ethyl) O-methyl phosphorodithioate
CID 81920
Phosphorothioic acid, O,O-diethyl O-(2-(methylthio)ethyl) ester
CID 120326
Phosphorodithioic acid, O,O-diethyl S-(2-(methylthio)ethyl) ester
CID 199149
Dithiophosphoric acid diethyl ester
CID 10563242
Tri-(beta-ethylmercaptoethyl) phosphite
CID 23280576
S-2-ethylmercaptoethyl methylthiophosphanate
CID 129762988

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylethoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane?
The IUPAC name of 2-ethylsulfanylethoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane (CID 154166943) is 2-ethylsulfanylethoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for 2-ethylsulfanylethoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for 2-ethylsulfanylethoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane is CCSCCOP(C)(O)=S.
What is the InChIKey of 2-ethylsulfanylethoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane?
The InChIKey is ZRYDHAFGRHCVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O2PS2/c1-3-10-5-4-7-8(2,6)9/h3-5H2,1-2H3,(H,6,9).
What are the key properties of 2-ethylsulfanylethoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane?
2-ethylsulfanylethoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane has a molecular weight of 200.26 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylethoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 154166943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).