2-(sulfinatoamino)-1,3-thiazole

C3H3N2O2S2- — CID 57139139

IUPAC2-(sulfinatoamino)-1,3-thiazole
SMILESO=S([O-])Nc1nccs1
InChIInChI=1S/C3H4N2O2S2/c6-9(7)5-3-4-1-2-8-3/h1-2H,(H,4,5)(H,6,7)/p-1
InChIKeyRFJALVBTFWHHSN-UHFFFAOYSA-M
MW163.20 g/mol
LogP0.35
Rot. Bonds2

About 2-(sulfinatoamino)-1,3-thiazole

2-(sulfinatoamino)-1,3-thiazole (PubChem CID 57139139) has the molecular formula C3H3N2O2S2- and a molecular weight of 163.20 g/mol. Its IUPAC name is 2-(sulfinatoamino)-1,3-thiazole.

Molecular Properties

Compound Name2-(sulfinatoamino)-1,3-thiazole
PubChem CID57139139
Molecular FormulaC3H3N2O2S2-
Molecular Weight163.20 g/mol
Exact Mass162.96
IUPAC Name2-(sulfinatoamino)-1,3-thiazole
SMILESO=S([O-])Nc1nccs1
InChIInChI=1S/C3H4N2O2S2/c6-9(7)5-3-4-1-2-8-3/h1-2H,(H,4,5)(H,6,7)/p-1
InChIKeyRFJALVBTFWHHSN-UHFFFAOYSA-M
XLogP0.35
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(sulfinatoamino)-1,3-thiazole?
The IUPAC name of 2-(sulfinatoamino)-1,3-thiazole (CID 57139139) is 2-(sulfinatoamino)-1,3-thiazole.
What is the SMILES notation for 2-(sulfinatoamino)-1,3-thiazole?
The canonical SMILES for 2-(sulfinatoamino)-1,3-thiazole is O=S([O-])Nc1nccs1.
What is the InChIKey of 2-(sulfinatoamino)-1,3-thiazole?
The InChIKey is RFJALVBTFWHHSN-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4N2O2S2/c6-9(7)5-3-4-1-2-8-3/h1-2H,(H,4,5)(H,6,7)/p-1.
What are the key properties of 2-(sulfinatoamino)-1,3-thiazole?
2-(sulfinatoamino)-1,3-thiazole has a molecular weight of 163.20 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfinatoamino)-1,3-thiazole is sourced from PubChem (CID 57139139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).