ethyl N-dihydroxyphosphinothioyloxyethanimidate

C4H10NO4PS — CID 88700961

IUPACethyl N-dihydroxyphosphinothioyloxyethanimidate
SMILESCCOC(C)=NOP(O)(O)=S
InChIInChI=1S/C4H10NO4PS/c1-3-8-4(2)5-9-10(6,7)11/h3H2,1-2H3,(H2,6,7,11)
InChIKeyIAEMCKHTPNOZBZ-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.58
Rot. Bonds3

About ethyl N-dihydroxyphosphinothioyloxyethanimidate

ethyl N-dihydroxyphosphinothioyloxyethanimidate (PubChem CID 88700961) has the molecular formula C4H10NO4PS and a molecular weight of 199.17 g/mol. Its IUPAC name is ethyl N-dihydroxyphosphinothioyloxyethanimidate.

Molecular Properties

Compound Nameethyl N-dihydroxyphosphinothioyloxyethanimidate
PubChem CID88700961
Molecular FormulaC4H10NO4PS
Molecular Weight199.17 g/mol
Exact Mass199.01
IUPAC Nameethyl N-dihydroxyphosphinothioyloxyethanimidate
SMILESCCOC(C)=NOP(O)(O)=S
InChIInChI=1S/C4H10NO4PS/c1-3-8-4(2)5-9-10(6,7)11/h3H2,1-2H3,(H2,6,7,11)
InChIKeyIAEMCKHTPNOZBZ-UHFFFAOYSA-N
XLogP0.58
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethyl (1E)-N-dihydroxyphosphinothioyloxy-2-methoxyethanimidate
CID 88700448
ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate
CID 13199093
ethyl (1E)-N-propan-2-ylideneethanehydrazonate
CID 131862809
ethyl (1E)-ethanehydrazonate
CID 57432796
ethyl (1E)-N-hydroxyethanimidate
CID 5363167
ethyl N-(3-oxopropoxy)ethanimidate
CID 71374207
ethyl N-(3-chloropropoxy)ethanimidate
CID 71339989
ethyl (1E)-N-(3-bromopropoxy)ethanimidate
CID 18008115
ethyl N-acetylethanimidate
CID 10011919
ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride
CID 88641033
ethyl N-(4-bromobutoxy)ethanimidate
CID 54060616
ethyl N-(10-hydroxydecoxy)ethanimidate
CID 71419610

Frequently Asked Questions

What is the IUPAC name of ethyl N-dihydroxyphosphinothioyloxyethanimidate?
The IUPAC name of ethyl N-dihydroxyphosphinothioyloxyethanimidate (CID 88700961) is ethyl N-dihydroxyphosphinothioyloxyethanimidate.
What is the SMILES notation for ethyl N-dihydroxyphosphinothioyloxyethanimidate?
The canonical SMILES for ethyl N-dihydroxyphosphinothioyloxyethanimidate is CCOC(C)=NOP(O)(O)=S.
What is the InChIKey of ethyl N-dihydroxyphosphinothioyloxyethanimidate?
The InChIKey is IAEMCKHTPNOZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO4PS/c1-3-8-4(2)5-9-10(6,7)11/h3H2,1-2H3,(H2,6,7,11).
What are the key properties of ethyl N-dihydroxyphosphinothioyloxyethanimidate?
ethyl N-dihydroxyphosphinothioyloxyethanimidate has a molecular weight of 199.17 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-dihydroxyphosphinothioyloxyethanimidate is sourced from PubChem (CID 88700961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).