ethoxy-methyl-[(2S)-pentan-2-yl]oxy-sulfanylidene-lambda5-phosphane

C8H19O2PS — CID 3049716

IUPACethoxy-methyl-[(2S)-pentan-2-yl]oxy-sulfanylidene-lambda5-phosphane
SMILESCCC[C@H](C)OP(C)(=S)OCC
InChIInChI=1S/C8H19O2PS/c1-5-7-8(3)10-11(4,12)9-6-2/h8H,5-7H2,1-4H3/t8-,11?/m0/s1
InChIKeyBDEGQQXVIXWKFG-YMNIQAILSA-N
MW210.28 g/mol
LogP3.17
Rot. Bonds6

About ethoxy-methyl-[(2S)-pentan-2-yl]oxy-sulfanylidene-lambda5-phosphane

ethoxy-methyl-[(2S)-pentan-2-yl]oxy-sulfanylidene-lambda5-phosphane (PubChem CID 3049716) has the molecular formula C8H19O2PS and a molecular weight of 210.28 g/mol. Its IUPAC name is ethoxy-methyl-[(2S)-pentan-2-yl]oxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Nameethoxy-methyl-[(2S)-pentan-2-yl]oxy-sulfanylidene-lambda5-phosphane
PubChem CID3049716
Molecular FormulaC8H19O2PS
Molecular Weight210.28 g/mol
Exact Mass210.08
IUPAC Nameethoxy-methyl-[(2S)-pentan-2-yl]oxy-sulfanylidene-lambda5-phosphane
SMILESCCC[C@H](C)OP(C)(=S)OCC
InChIInChI=1S/C8H19O2PS/c1-5-7-8(3)10-11(4,12)9-6-2/h8H,5-7H2,1-4H3/t8-,11?/m0/s1
InChIKeyBDEGQQXVIXWKFG-YMNIQAILSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Triisopropyl phosphite
CID 8304
Tri-O-butyl phosphorothioate
CID 94884
Phosphorothioic acid, S-butyl O,O-diethyl ester
CID 209696
Phosphorothioic acid, O,O-diethyl O-(1-methylethyl) ester
CID 3048039
Phosphorothioic acid, O,O-diethyl S-hexyl ester
CID 167139
Phosphorothioic acid, O,O-dimethyl S-pentyl ester
CID 3061883
Disecbutyl dithiophosphate
CID 36561
Diisopropyl ethylphosphonite
CID 13270441
Diisopropyl methylphosphonite
CID 6455305
O,O'O''-Triphenylphosphorothioate
CID 575347
Phosphonothioic acid, ethyl-, S-butyl O-methyl ester
CID 198219
O-Butan-2-yl O-ethyl methylphosphonothioate
CID 3049706

Frequently Asked Questions

What is the IUPAC name of ethoxy-methyl-[(2S)-pentan-2-yl]oxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of ethoxy-methyl-[(2S)-pentan-2-yl]oxy-sulfanylidene-lambda5-phosphane (CID 3049716) is ethoxy-methyl-[(2S)-pentan-2-yl]oxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for ethoxy-methyl-[(2S)-pentan-2-yl]oxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for ethoxy-methyl-[(2S)-pentan-2-yl]oxy-sulfanylidene-lambda5-phosphane is CCC[C@H](C)OP(C)(=S)OCC.
What is the InChIKey of ethoxy-methyl-[(2S)-pentan-2-yl]oxy-sulfanylidene-lambda5-phosphane?
The InChIKey is BDEGQQXVIXWKFG-YMNIQAILSA-N. The full InChI is InChI=1S/C8H19O2PS/c1-5-7-8(3)10-11(4,12)9-6-2/h8H,5-7H2,1-4H3/t8-,11?/m0/s1.
What are the key properties of ethoxy-methyl-[(2S)-pentan-2-yl]oxy-sulfanylidene-lambda5-phosphane?
ethoxy-methyl-[(2S)-pentan-2-yl]oxy-sulfanylidene-lambda5-phosphane has a molecular weight of 210.28 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-methyl-[(2S)-pentan-2-yl]oxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 3049716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).