dihydroxy-isocyanato-sulfanylidene-λ5-phosphane

CH2NO3PS — CID 19873992

IUPACdihydroxy-isocyanato-sulfanylidene-λ5-phosphane
SMILESO=C=NP(O)(O)=S
InChIInChI=1S/CH2NO3PS/c3-1-2-6(4,5)7/h(H2,4,5,7)
InChIKeyAWUCCMJEKJAOFJ-UHFFFAOYSA-N
MW139.07 g/mol
LogP-0.47
Rot. Bonds1

About dihydroxy-isocyanato-sulfanylidene-λ5-phosphane

dihydroxy-isocyanato-sulfanylidene-λ5-phosphane (PubChem CID 19873992) has the molecular formula CH2NO3PS and a molecular weight of 139.07 g/mol. Its IUPAC name is dihydroxy-isocyanato-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedihydroxy-isocyanato-sulfanylidene-λ5-phosphane
PubChem CID19873992
Molecular FormulaCH2NO3PS
Molecular Weight139.07 g/mol
Exact Mass138.95
IUPAC Namedihydroxy-isocyanato-sulfanylidene-λ5-phosphane
SMILESO=C=NP(O)(O)=S
InChIInChI=1S/CH2NO3PS/c3-1-2-6(4,5)7/h(H2,4,5,7)
InChIKeyAWUCCMJEKJAOFJ-UHFFFAOYSA-N
XLogP-0.47
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.07
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

[amino(isocyanato)phosphinothioyl]imino-oxomethane
CID 165358363
CID 173186715
CID 173186715
molybdenum;rhenium;trihydroxy(sulfanylidene)-λ5-phosphane
CID 174835711
[amino(chloro)phosphoryl]imino-oxomethane
CID 57351144
2-methylbutan-2-yloxy-N-(oxomethylidene)phosphonamidic acid
CID 54058298
CID 173075577
CID 173075577
tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 174914506
28-isocyanatooctacosylphosphonic acid
CID 87685605
29-isocyanatononacosylphosphonic acid
CID 87681098
39-isocyanatononatriacontylphosphonic acid
CID 87686713
carbanide;methanidylimino(oxo)methane;methanol;uranium;tetrakis(uranium(2+))
CID 160955770
lithium;hydride;2-isocyanato-2-oxoethanedithioic acid;phosphoric acid
CID 175302147

Frequently Asked Questions

What is the IUPAC name of dihydroxy-isocyanato-sulfanylidene-λ5-phosphane?
The IUPAC name of dihydroxy-isocyanato-sulfanylidene-λ5-phosphane (CID 19873992) is dihydroxy-isocyanato-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dihydroxy-isocyanato-sulfanylidene-λ5-phosphane?
The canonical SMILES for dihydroxy-isocyanato-sulfanylidene-λ5-phosphane is O=C=NP(O)(O)=S.
What is the InChIKey of dihydroxy-isocyanato-sulfanylidene-λ5-phosphane?
The InChIKey is AWUCCMJEKJAOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2NO3PS/c3-1-2-6(4,5)7/h(H2,4,5,7).
What are the key properties of dihydroxy-isocyanato-sulfanylidene-λ5-phosphane?
dihydroxy-isocyanato-sulfanylidene-λ5-phosphane has a molecular weight of 139.07 g/mol, XLogP of -0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-isocyanato-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 19873992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).