azane;ethylsulfanylphosphonous acid

C2H13N2O2PS — CID 172865056

IUPACazane;ethylsulfanylphosphonous acid
SMILESCCSP(O)O.N.N
InChIInChI=1S/C2H7O2PS.2H3N/c1-2-6-5(3)4;;/h3-4H,2H2,1H3;2*1H3
InChIKeyZWJUENLCKCRQEB-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.27
Rot. Bonds2

About azane;ethylsulfanylphosphonous acid

azane;ethylsulfanylphosphonous acid (PubChem CID 172865056) has the molecular formula C2H13N2O2PS and a molecular weight of 160.18 g/mol. Its IUPAC name is azane;ethylsulfanylphosphonous acid.

Molecular Properties

Compound Nameazane;ethylsulfanylphosphonous acid
PubChem CID172865056
Molecular FormulaC2H13N2O2PS
Molecular Weight160.18 g/mol
Exact Mass160.04
IUPAC Nameazane;ethylsulfanylphosphonous acid
SMILESCCSP(O)O.N.N
InChIInChI=1S/C2H7O2PS.2H3N/c1-2-6-5(3)4;;/h3-4H,2H2,1H3;2*1H3
InChIKeyZWJUENLCKCRQEB-UHFFFAOYSA-N
XLogP1.27
TPSA110.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethylsulfanyl(dimethoxy)phosphane
CID 57001241
ethylsulfanylmethoxy(methyl)phosphinous acid
CID 151487933
N,N-diethylethanamine;dihydroxyphosphanylphosphonous acid
CID 87602181
azane;ethanol
CID 173204929
dihydrogen phosphite;tetraethylazanium
CID 21284167
CID 174755451
CID 174755451
ethyl-ethylsulfanyl-dihydroxy-λ4-sulfane
CID 87406523
azane;ethanol;hydron
CID 173431857
N-methyl-propylphosphonamidous acid
CID 144706923
azane;2,3-dimethylpent-2-ene
CID 87285665
bis(ethylsulfanyl)carbamothioic S-acid
CID 20529645
azane;ethyl methyl hydrogen phosphite
CID 173447260

Frequently Asked Questions

What is the IUPAC name of azane;ethylsulfanylphosphonous acid?
The IUPAC name of azane;ethylsulfanylphosphonous acid (CID 172865056) is azane;ethylsulfanylphosphonous acid.
What is the SMILES notation for azane;ethylsulfanylphosphonous acid?
The canonical SMILES for azane;ethylsulfanylphosphonous acid is CCSP(O)O.N.N.
What is the InChIKey of azane;ethylsulfanylphosphonous acid?
The InChIKey is ZWJUENLCKCRQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O2PS.2H3N/c1-2-6-5(3)4;;/h3-4H,2H2,1H3;2*1H3.
What are the key properties of azane;ethylsulfanylphosphonous acid?
azane;ethylsulfanylphosphonous acid has a molecular weight of 160.18 g/mol, XLogP of 1.27, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethylsulfanylphosphonous acid is sourced from PubChem (CID 172865056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).