bis(2-cyanoethoxyphosphonamidous acid);sulfane

C6H16N4O4P2S — CID 174370903

IUPACbis(2-cyanoethoxyphosphonamidous acid);sulfane
SMILESN#CCCOP(N)O.N#CCCOP(N)O.S
InChIInChI=1S/2C3H7N2O2P.H2S/c2*4-2-1-3-7-8(5)6;/h2*6H,1,3,5H2;1H2
InChIKeyREFSCEXUZHXWQX-UHFFFAOYSA-N
MW302.23 g/mol
LogP0.30
Rot. Bonds6

About bis(2-cyanoethoxyphosphonamidous acid);sulfane

bis(2-cyanoethoxyphosphonamidous acid);sulfane (PubChem CID 174370903) has the molecular formula C6H16N4O4P2S and a molecular weight of 302.23 g/mol. Its IUPAC name is bis(2-cyanoethoxyphosphonamidous acid);sulfane.

Molecular Properties

Compound Namebis(2-cyanoethoxyphosphonamidous acid);sulfane
PubChem CID174370903
Molecular FormulaC6H16N4O4P2S
Molecular Weight302.23 g/mol
Exact Mass302.04
IUPAC Namebis(2-cyanoethoxyphosphonamidous acid);sulfane
SMILESN#CCCOP(N)O.N#CCCOP(N)O.S
InChIInChI=1S/2C3H7N2O2P.H2S/c2*4-2-1-3-7-8(5)6;/h2*6H,1,3,5H2;1H2
InChIKeyREFSCEXUZHXWQX-UHFFFAOYSA-N
XLogP0.30
TPSA158.54 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

3-[2-cyanoethoxy(2-cyanoethyl)phosphanyl]oxypropanenitrile
CID 11770122
tert-butyl(2-cyanoethoxy)phosphinous acid
CID 90741308
2-cyanoethoxy-N-methylphosphonamidous acid
CID 89056446
5-aminooxypentyl 2-cyanoethyl hydrogen phosphite
CID 118258570
3-[chloro(methyl)phosphanyl]oxypropanenitrile
CID 20605747
3-(hydroxyamino)oxypropanenitrile
CID 156648374
acetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane
CID 170710647
butyl-[2-cyanoethoxy(hydroxy)phosphanyl]-di(propan-2-yl)azanium
CID 91483305
3-[(E)-2-(2-cyanoethoxy)ethenoxy]propanenitrile
CID 170276517
N-chloro-(2-cyanoethoxy)-N-[di(propan-2-yl)amino]phosphonamidous acid
CID 54224854
2-cyanoethyl dipropan-2-yl phosphite
CID 22619650
azane;2-cyanoethyl hydrogen carbonate
CID 174589632

Frequently Asked Questions

What is the IUPAC name of bis(2-cyanoethoxyphosphonamidous acid);sulfane?
The IUPAC name of bis(2-cyanoethoxyphosphonamidous acid);sulfane (CID 174370903) is bis(2-cyanoethoxyphosphonamidous acid);sulfane.
What is the SMILES notation for bis(2-cyanoethoxyphosphonamidous acid);sulfane?
The canonical SMILES for bis(2-cyanoethoxyphosphonamidous acid);sulfane is N#CCCOP(N)O.N#CCCOP(N)O.S.
What is the InChIKey of bis(2-cyanoethoxyphosphonamidous acid);sulfane?
The InChIKey is REFSCEXUZHXWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7N2O2P.H2S/c2*4-2-1-3-7-8(5)6;/h2*6H,1,3,5H2;1H2.
What are the key properties of bis(2-cyanoethoxyphosphonamidous acid);sulfane?
bis(2-cyanoethoxyphosphonamidous acid);sulfane has a molecular weight of 302.23 g/mol, XLogP of 0.30, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-cyanoethoxyphosphonamidous acid);sulfane is sourced from PubChem (CID 174370903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).