carbonic acid;2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine;ethene

C13H30NO6PS — CID 87674337

IUPACcarbonic acid;2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine;ethene
SMILESC=C.CCOP(=O)(OCC)SCCN(CC)CC.O=C(O)O
InChIInChI=1S/C10H24NO3PS.C2H4.CH2O3/c1-5-11(6-2)9-10-16-15(12,13-7-3)14-8-4;1-2;2-1(3)4/h5-10H2,1-4H3;1-2H2;(H2,2,3,4)
InChIKeyUCMYPRQHLAPNPV-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.27
Rot. Bonds10

About carbonic acid;2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine;ethene

carbonic acid;2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine;ethene (PubChem CID 87674337) has the molecular formula C13H30NO6PS and a molecular weight of 359.43 g/mol. Its IUPAC name is carbonic acid;2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine;ethene.

Molecular Properties

Compound Namecarbonic acid;2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine;ethene
PubChem CID87674337
Molecular FormulaC13H30NO6PS
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Namecarbonic acid;2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine;ethene
SMILESC=C.CCOP(=O)(OCC)SCCN(CC)CC.O=C(O)O
InChIInChI=1S/C10H24NO3PS.C2H4.CH2O3/c1-5-11(6-2)9-10-16-15(12,13-7-3)14-8-4;1-2;2-1(3)4/h5-10H2,1-4H3;1-2H2;(H2,2,3,4)
InChIKeyUCMYPRQHLAPNPV-UHFFFAOYSA-N
XLogP4.27
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[ethoxy(propyl)phosphoryl]sulfanyl-N,N-diethylethanamine
CID 126582667
methyl 3-diethoxyphosphorylsulfanylpropanoate
CID 12524678
1-diethoxyphosphorylsulfanyl-2-methylsulfanylethane
CID 24841778
2-[decoxy(methyl)phosphoryl]sulfanyl-N,N-diethylethanamine
CID 559681
N,N-diethyl-2-[ethyl(methoxy)phosphoryl]sulfanylethanamine
CID 559672
2-diethoxyphosphorylsulfanylethyl(triethyl)azanium
CID 29997
1-diethoxyphosphorylsulfanylbut-3-en-2-one
CID 24978000
methyl 2-diethoxyphosphorylsulfanylacetate
CID 121232781
cyclohexane;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane
CID 23173070
3-diethoxyphosphorylsulfanylpropyl(trimethyl)azanium
CID 10340737
4-diethoxyphosphorylsulfanylbutanenitrile
CID 102373246
3-[2-(diethylamino)ethylsulfanyl]-2-methylpropanoic acid
CID 64914311

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine;ethene?
The IUPAC name of carbonic acid;2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine;ethene (CID 87674337) is carbonic acid;2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine;ethene.
What is the SMILES notation for carbonic acid;2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine;ethene?
The canonical SMILES for carbonic acid;2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine;ethene is C=C.CCOP(=O)(OCC)SCCN(CC)CC.O=C(O)O.
What is the InChIKey of carbonic acid;2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine;ethene?
The InChIKey is UCMYPRQHLAPNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO3PS.C2H4.CH2O3/c1-5-11(6-2)9-10-16-15(12,13-7-3)14-8-4;1-2;2-1(3)4/h5-10H2,1-4H3;1-2H2;(H2,2,3,4).
What are the key properties of carbonic acid;2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine;ethene?
carbonic acid;2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine;ethene has a molecular weight of 359.43 g/mol, XLogP of 4.27, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine;ethene is sourced from PubChem (CID 87674337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).