azane;dihydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane

CH8NO2PS2 — CID 175217284

IUPACazane;dihydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCSP(O)(O)=S.N
InChIInChI=1S/CH5O2PS2.H3N/c1-6-4(2,3)5;/h1H3,(H2,2,3,5);1H3
InChIKeyMAGQLJVHGNPHDJ-UHFFFAOYSA-N
MW161.19 g/mol
LogP0.72
Rot. Bonds1

About azane;dihydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane

azane;dihydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 175217284) has the molecular formula CH8NO2PS2 and a molecular weight of 161.19 g/mol. Its IUPAC name is azane;dihydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameazane;dihydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane
PubChem CID175217284
Molecular FormulaCH8NO2PS2
Molecular Weight161.19 g/mol
Exact Mass160.97
IUPAC Nameazane;dihydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCSP(O)(O)=S.N
InChIInChI=1S/CH5O2PS2.H3N/c1-6-4(2,3)5;/h1H3,(H2,2,3,5);1H3
InChIKeyMAGQLJVHGNPHDJ-UHFFFAOYSA-N
XLogP0.72
TPSA75.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dihydroxyphosphinothioyl thiohypochlorite
CID 150098625
azane;dihydroxy-methoxy-sulfanylidene-λ5-phosphane
CID 174843642
azane;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 175740324
azane;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 23205543
ethane;methane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175324813
ethylsulfanyloxy-hydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane
CID 87701361
azane;hydroxy-dimethoxy-sulfanylidene-lambda5-phosphane
CID 14041230
azane;boric acid;trihydroxy(sulfanylidene)-λ5-phosphane
CID 175125290
propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222318
sodium;ethane;hydride;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173048196
CID 173186715
CID 173186715
tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 174914506

Frequently Asked Questions

What is the IUPAC name of azane;dihydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of azane;dihydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane (CID 175217284) is azane;dihydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for azane;dihydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for azane;dihydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane is CSP(O)(O)=S.N.
What is the InChIKey of azane;dihydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is MAGQLJVHGNPHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5O2PS2.H3N/c1-6-4(2,3)5;/h1H3,(H2,2,3,5);1H3.
What are the key properties of azane;dihydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane?
azane;dihydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 161.19 g/mol, XLogP of 0.72, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;dihydroxy-methylsulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 175217284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).