2-[[(ethyldisulfanyl)-ethylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane

C11H25O3PS3 — CID 10088168

IUPAC2-[[(ethyldisulfanyl)-ethylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane
SMILESCCSSC(SCC)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C11H25O3PS3/c1-7-16-11(18-17-8-2)15(12,13-9(3)4)14-10(5)6/h9-11H,7-8H2,1-6H3
InChIKeyWLALUXBBFRBQJC-UHFFFAOYSA-N
MW332.49 g/mol
LogP5.47
Rot. Bonds10

About 2-[[(ethyldisulfanyl)-ethylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane

2-[[(ethyldisulfanyl)-ethylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane (PubChem CID 10088168) has the molecular formula C11H25O3PS3 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-[[(ethyldisulfanyl)-ethylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane.

Molecular Properties

Compound Name2-[[(ethyldisulfanyl)-ethylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane
PubChem CID10088168
Molecular FormulaC11H25O3PS3
Molecular Weight332.49 g/mol
Exact Mass332.07
IUPAC Name2-[[(ethyldisulfanyl)-ethylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane
SMILESCCSSC(SCC)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C11H25O3PS3/c1-7-16-11(18-17-8-2)15(12,13-9(3)4)14-10(5)6/h9-11H,7-8H2,1-6H3
InChIKeyWLALUXBBFRBQJC-UHFFFAOYSA-N
XLogP5.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[[[[di(propan-2-yloxy)phosphoryl-ethylsulfanylmethyl]disulfanyl]-ethylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane
CID 10325067
(1R)-1-deuterio-1-[[(1R)-1-deuterio-1-di(propan-2-yloxy)phosphorylpropyl]disulfanyl]-1-di(propan-2-yloxy)phosphorylpropane
CID 101252455
(1R)-1-di(propan-2-yloxy)phosphoryl-1-methylsulfanylpropane
CID 101252450
2-[[di(propan-2-yloxy)phosphoryl-methylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane
CID 15373881
1-diethoxyphosphoryl-1-(1-diethoxyphosphorylethyldisulfanyl)ethane
CID 12536435
(3S)-3-di(propan-2-yloxy)phosphorylhexanal
CID 23659686
2-bromo-2-di(propan-2-yloxy)phosphorylacetaldehyde
CID 3760305
1-di(propan-2-yloxy)phosphorylbut-1-ene
CID 176894704
ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate
CID 11207945
2-chloro-1-diethoxyphosphoryl-1-ethylsulfanylethane
CID 134893812
ethyl di(propan-2-yloxy)phosphorylmethanedithioate
CID 11777924
1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-ol
CID 13148198

Frequently Asked Questions

What is the IUPAC name of 2-[[(ethyldisulfanyl)-ethylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane?
The IUPAC name of 2-[[(ethyldisulfanyl)-ethylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane (CID 10088168) is 2-[[(ethyldisulfanyl)-ethylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane.
What is the SMILES notation for 2-[[(ethyldisulfanyl)-ethylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane?
The canonical SMILES for 2-[[(ethyldisulfanyl)-ethylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane is CCSSC(SCC)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 2-[[(ethyldisulfanyl)-ethylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane?
The InChIKey is WLALUXBBFRBQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O3PS3/c1-7-16-11(18-17-8-2)15(12,13-9(3)4)14-10(5)6/h9-11H,7-8H2,1-6H3.
What are the key properties of 2-[[(ethyldisulfanyl)-ethylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane?
2-[[(ethyldisulfanyl)-ethylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane has a molecular weight of 332.49 g/mol, XLogP of 5.47, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(ethyldisulfanyl)-ethylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane is sourced from PubChem (CID 10088168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).