sulfurous acid;1,3-thiazol-2-amine

C3H6N2O3S2 — CID 88720588

IUPACsulfurous acid;1,3-thiazol-2-amine
SMILESNc1nccs1.O=S(O)O
InChIInChI=1S/C3H4N2S.H2O3S/c4-3-5-1-2-6-3;1-4(2)3/h1-2H,(H2,4,5);(H2,1,2,3)
InChIKeyFRTDJTCZPSPLJY-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.41
Rot. Bonds

About sulfurous acid;1,3-thiazol-2-amine

sulfurous acid;1,3-thiazol-2-amine (PubChem CID 88720588) has the molecular formula C3H6N2O3S2 and a molecular weight of 182.23 g/mol. Its IUPAC name is sulfurous acid;1,3-thiazol-2-amine.

Molecular Properties

Compound Namesulfurous acid;1,3-thiazol-2-amine
PubChem CID88720588
Molecular FormulaC3H6N2O3S2
Molecular Weight182.23 g/mol
Exact Mass181.98
IUPAC Namesulfurous acid;1,3-thiazol-2-amine
SMILESNc1nccs1.O=S(O)O
InChIInChI=1S/C3H4N2S.H2O3S/c4-3-5-1-2-6-3;1-4(2)3/h1-2H,(H2,4,5);(H2,1,2,3)
InChIKeyFRTDJTCZPSPLJY-UHFFFAOYSA-N
XLogP0.41
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze sulfurous acid;1,3-thiazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sulfurous acid;1,3-thiazol-2-amine?
The IUPAC name of sulfurous acid;1,3-thiazol-2-amine (CID 88720588) is sulfurous acid;1,3-thiazol-2-amine.
What is the SMILES notation for sulfurous acid;1,3-thiazol-2-amine?
The canonical SMILES for sulfurous acid;1,3-thiazol-2-amine is Nc1nccs1.O=S(O)O.
What is the InChIKey of sulfurous acid;1,3-thiazol-2-amine?
The InChIKey is FRTDJTCZPSPLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2S.H2O3S/c4-3-5-1-2-6-3;1-4(2)3/h1-2H,(H2,4,5);(H2,1,2,3).
What are the key properties of sulfurous acid;1,3-thiazol-2-amine?
sulfurous acid;1,3-thiazol-2-amine has a molecular weight of 182.23 g/mol, XLogP of 0.41, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfurous acid;1,3-thiazol-2-amine is sourced from PubChem (CID 88720588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).