[amino(isocyanato)phosphinothioyl]imino-oxomethane

C2H2N3O2PS — CID 165358363

IUPAC[amino(isocyanato)phosphinothioyl]imino-oxomethane
SMILESNP(=S)(N=C=O)N=C=O
InChIInChI=1S/C2H2N3O2PS/c3-8(9,4-1-6)5-2-7/h(H2,3,9)
InChIKeyDNEBNROBONOBEZ-UHFFFAOYSA-N
MW163.10 g/mol
LogP-0.16
Rot. Bonds2

About [amino(isocyanato)phosphinothioyl]imino-oxomethane

[amino(isocyanato)phosphinothioyl]imino-oxomethane (PubChem CID 165358363) has the molecular formula C2H2N3O2PS and a molecular weight of 163.10 g/mol. Its IUPAC name is [amino(isocyanato)phosphinothioyl]imino-oxomethane.

Molecular Properties

Compound Name[amino(isocyanato)phosphinothioyl]imino-oxomethane
PubChem CID165358363
Molecular FormulaC2H2N3O2PS
Molecular Weight163.10 g/mol
Exact Mass162.96
IUPAC Name[amino(isocyanato)phosphinothioyl]imino-oxomethane
SMILESNP(=S)(N=C=O)N=C=O
InChIInChI=1S/C2H2N3O2PS/c3-8(9,4-1-6)5-2-7/h(H2,3,9)
InChIKeyDNEBNROBONOBEZ-UHFFFAOYSA-N
XLogP-0.16
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.10
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dihydroxy-isocyanato-sulfanylidene-λ5-phosphane
CID 19873992
[amino(chloro)phosphoryl]imino-oxomethane
CID 57351144
benzene;triisocyanatooxy(sulfanylidene)-lambda5-phosphane
CID 18410041
2-[isocyanato(methoxy)phosphoryl]-2-methylpropane
CID 12691957
oxo(polanylimino)methane
CID 173033131
aminophosphonic acid;rhenium
CID 174387588
1,2-diisocyanatoethane;hydrazine
CID 155127889
aminophosphonic acid;dihydroxy-methyl-sulfanylidene-λ5-phosphane
CID 90199354
diaminophosphanylimino(oxo)methane
CID 71350775
carbon dioxide;hydrazine
CID 161387256
CID 87698757
CID 87698757
potassium methanidylimino(oxo)methane
CID 151867234

Frequently Asked Questions

What is the IUPAC name of [amino(isocyanato)phosphinothioyl]imino-oxomethane?
The IUPAC name of [amino(isocyanato)phosphinothioyl]imino-oxomethane (CID 165358363) is [amino(isocyanato)phosphinothioyl]imino-oxomethane.
What is the SMILES notation for [amino(isocyanato)phosphinothioyl]imino-oxomethane?
The canonical SMILES for [amino(isocyanato)phosphinothioyl]imino-oxomethane is NP(=S)(N=C=O)N=C=O.
What is the InChIKey of [amino(isocyanato)phosphinothioyl]imino-oxomethane?
The InChIKey is DNEBNROBONOBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N3O2PS/c3-8(9,4-1-6)5-2-7/h(H2,3,9).
What are the key properties of [amino(isocyanato)phosphinothioyl]imino-oxomethane?
[amino(isocyanato)phosphinothioyl]imino-oxomethane has a molecular weight of 163.10 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(isocyanato)phosphinothioyl]imino-oxomethane is sourced from PubChem (CID 165358363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).