bis(sulfanylidene)azanium;hydrate

H2NOS2+ — CID 174912478

IUPACbis(sulfanylidene)azanium;hydrate
SMILESO.S=[N+]=S
InChIInChI=1S/NS2.H2O/c2-1-3;/h;1H2/q+1;
InChIKeyYJBIJTGENUKOAX-UHFFFAOYSA-N
MW96.16 g/mol
LogP-1.31
Rot. Bonds

About bis(sulfanylidene)azanium;hydrate

bis(sulfanylidene)azanium;hydrate (PubChem CID 174912478) has the molecular formula H2NOS2+ and a molecular weight of 96.16 g/mol. Its IUPAC name is bis(sulfanylidene)azanium;hydrate.

Molecular Properties

Compound Namebis(sulfanylidene)azanium;hydrate
PubChem CID174912478
Molecular FormulaH2NOS2+
Molecular Weight96.16 g/mol
Exact Mass95.96
IUPAC Namebis(sulfanylidene)azanium;hydrate
SMILESO.S=[N+]=S
InChIInChI=1S/NS2.H2O/c2-1-3;/h;1H2/q+1;
InChIKeyYJBIJTGENUKOAX-UHFFFAOYSA-N
XLogP-1.31
TPSA45.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.16
LogP ≤ 5-1.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

helium;neon;hydrate
CID 172782819
oxidane
CID 173081003
helium;neon;xenon;hydrate
CID 19786071
CID 158997385
CID 158997385
oxidane
CID 657017
sulfur monoxide;hydrate
CID 22153287
sulfanylidenecobalt;hydrate
CID 158807205
tetraiodoplatinum;dihydrate
CID 175768399
azane;methane;neon;hydrate;hydrofluoride
CID 161411343
tetraiodotantalum;pentahydrate
CID 175768268
nickel;sulfanylidenecobalt;hydrate
CID 174813278
germylformonitrile
CID 71356013

Frequently Asked Questions

What is the IUPAC name of bis(sulfanylidene)azanium;hydrate?
The IUPAC name of bis(sulfanylidene)azanium;hydrate (CID 174912478) is bis(sulfanylidene)azanium;hydrate.
What is the SMILES notation for bis(sulfanylidene)azanium;hydrate?
The canonical SMILES for bis(sulfanylidene)azanium;hydrate is O.S=[N+]=S.
What is the InChIKey of bis(sulfanylidene)azanium;hydrate?
The InChIKey is YJBIJTGENUKOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/NS2.H2O/c2-1-3;/h;1H2/q+1;.
What are the key properties of bis(sulfanylidene)azanium;hydrate?
bis(sulfanylidene)azanium;hydrate has a molecular weight of 96.16 g/mol, XLogP of -1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(sulfanylidene)azanium;hydrate is sourced from PubChem (CID 174912478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).