1-diethoxyphosphorylsulfanyl-2-methylsulfanylethane

C7H17O3PS2 — CID 24841778

IUPAC1-diethoxyphosphorylsulfanyl-2-methylsulfanylethane
SMILESCCOP(=O)(OCC)SCCSC
InChIInChI=1S/C7H17O3PS2/c1-4-9-11(8,10-5-2)13-7-6-12-3/h4-7H2,1-3H3
InChIKeyPBDREZWGKXUAGP-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.26
Rot. Bonds8

About 1-diethoxyphosphorylsulfanyl-2-methylsulfanylethane

1-diethoxyphosphorylsulfanyl-2-methylsulfanylethane (PubChem CID 24841778) has the molecular formula C7H17O3PS2 and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-diethoxyphosphorylsulfanyl-2-methylsulfanylethane.

Molecular Properties

Compound Name1-diethoxyphosphorylsulfanyl-2-methylsulfanylethane
PubChem CID24841778
Molecular FormulaC7H17O3PS2
Molecular Weight244.32 g/mol
Exact Mass244.04
IUPAC Name1-diethoxyphosphorylsulfanyl-2-methylsulfanylethane
SMILESCCOP(=O)(OCC)SCCSC
InChIInChI=1S/C7H17O3PS2/c1-4-9-11(8,10-5-2)13-7-6-12-3/h4-7H2,1-3H3
InChIKeyPBDREZWGKXUAGP-UHFFFAOYSA-N
XLogP3.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

cyclohexane;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane
CID 23173070
2-diethoxyphosphorylsulfanylethyl(triethyl)azanium
CID 29997
3-diethoxyphosphorylsulfanylpropyl(trimethyl)azanium
CID 10340737
4-diethoxyphosphorylsulfanylbutanenitrile
CID 102373246
methyl 3-diethoxyphosphorylsulfanylpropanoate
CID 12524678
2-[ethoxy(methoxy)phosphoryl]sulfanylethyl-trimethylazanium
CID 121231394
(1R)-1-diethoxyphosphoryl-3-methylsulfanylpropan-1-amine
CID 12524631
carbonic acid;2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine;ethene
CID 87674337
methyl 2-diethoxyphosphorylsulfanylacetate
CID 121232781
1-diethoxyphosphorylsulfanylbut-3-en-2-one
CID 24978000
5-[ethoxy(propylsulfanyl)phosphoryl]oxy-1,3-dimethyl-2-methylsulfanylbenzene
CID 21432667
1-diethoxyphosphorylsulfanyl-4-methylpent-3-en-2-one
CID 100979056

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphorylsulfanyl-2-methylsulfanylethane?
The IUPAC name of 1-diethoxyphosphorylsulfanyl-2-methylsulfanylethane (CID 24841778) is 1-diethoxyphosphorylsulfanyl-2-methylsulfanylethane.
What is the SMILES notation for 1-diethoxyphosphorylsulfanyl-2-methylsulfanylethane?
The canonical SMILES for 1-diethoxyphosphorylsulfanyl-2-methylsulfanylethane is CCOP(=O)(OCC)SCCSC.
What is the InChIKey of 1-diethoxyphosphorylsulfanyl-2-methylsulfanylethane?
The InChIKey is PBDREZWGKXUAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O3PS2/c1-4-9-11(8,10-5-2)13-7-6-12-3/h4-7H2,1-3H3.
What are the key properties of 1-diethoxyphosphorylsulfanyl-2-methylsulfanylethane?
1-diethoxyphosphorylsulfanyl-2-methylsulfanylethane has a molecular weight of 244.32 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphorylsulfanyl-2-methylsulfanylethane is sourced from PubChem (CID 24841778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).