azanium 2-sulfanylacetate

C2H7NO2S — CID 21534

IUPACazanium 2-sulfanylacetate
SMILESO=C([O-])CS.[NH4+]
InChIInChI=1S/C2H4O2S.H3N/c3-2(4)1-5;/h5H,1H2,(H,3,4);1H3
InChIKeyZZTCCAPMZLDHFM-UHFFFAOYSA-N
MW109.15 g/mol
LogP-0.96
Rot. Bonds1

About azanium 2-sulfanylacetate

azanium 2-sulfanylacetate (PubChem CID 21534) has the molecular formula C2H7NO2S and a molecular weight of 109.15 g/mol. Its IUPAC name is azanium 2-sulfanylacetate.

Molecular Properties

Compound Nameazanium 2-sulfanylacetate
PubChem CID21534
Molecular FormulaC2H7NO2S
Molecular Weight109.15 g/mol
Exact Mass109.02
IUPAC Nameazanium 2-sulfanylacetate
SMILESO=C([O-])CS.[NH4+]
InChIInChI=1S/C2H4O2S.H3N/c3-2(4)1-5;/h5H,1H2,(H,3,4);1H3
InChIKeyZZTCCAPMZLDHFM-UHFFFAOYSA-N
XLogP-0.96
TPSA76.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.15
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze azanium 2-sulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

calcium;bis(2-sulfanylacetate);hydrate
CID 139823840
sodium;azane;2-sulfanylacetate;2-sulfanylacetic acid
CID 173410067
CID 175203237
CID 175203237
disodium;3,4-diethylhexane-3,4-diol;bis(2-sulfanylacetate)
CID 174650042
2-sulfanylacetate;tributylstannanylium
CID 161006550
azanium;2-hydroxyacetate;titanium
CID 173336650
azanium;iron(3+);bis(propanedioate)
CID 160868163
azanium;lithium;butanedioate
CID 18352245
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;tris(2-sulfanylacetate);tris(trimethylstannanylium)
CID 163589674
triazanium;iron(3+);tris(2-sulfidoacetate)
CID 173208735
2-hydroxyacetate
CID 5460308
azanium;titanium;acetate
CID 173299620

Frequently Asked Questions

What is the IUPAC name of azanium 2-sulfanylacetate?
The IUPAC name of azanium 2-sulfanylacetate (CID 21534) is azanium 2-sulfanylacetate.
What is the SMILES notation for azanium 2-sulfanylacetate?
The canonical SMILES for azanium 2-sulfanylacetate is O=C([O-])CS.[NH4+].
What is the InChIKey of azanium 2-sulfanylacetate?
The InChIKey is ZZTCCAPMZLDHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2S.H3N/c3-2(4)1-5;/h5H,1H2,(H,3,4);1H3.
What are the key properties of azanium 2-sulfanylacetate?
azanium 2-sulfanylacetate has a molecular weight of 109.15 g/mol, XLogP of -0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2-sulfanylacetate is sourced from PubChem (CID 21534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).