2-(sulfinatoamino)-1,3,5-triazine

C3H3N4O2S- — CID 54387720

IUPAC2-(sulfinatoamino)-1,3,5-triazine
SMILESO=S([O-])Nc1ncncn1
InChIInChI=1S/C3H4N4O2S/c8-10(9)7-3-5-1-4-2-6-3/h1-2H,(H,8,9)(H,4,5,6,7)/p-1
InChIKeyKQTHYTFYCOFAJV-UHFFFAOYSA-M
MW159.15 g/mol
LogP-0.92
Rot. Bonds2

About 2-(sulfinatoamino)-1,3,5-triazine

2-(sulfinatoamino)-1,3,5-triazine (PubChem CID 54387720) has the molecular formula C3H3N4O2S- and a molecular weight of 159.15 g/mol. Its IUPAC name is 2-(sulfinatoamino)-1,3,5-triazine.

Molecular Properties

Compound Name2-(sulfinatoamino)-1,3,5-triazine
PubChem CID54387720
Molecular FormulaC3H3N4O2S-
Molecular Weight159.15 g/mol
Exact Mass159.00
IUPAC Name2-(sulfinatoamino)-1,3,5-triazine
SMILESO=S([O-])Nc1ncncn1
InChIInChI=1S/C3H4N4O2S/c8-10(9)7-3-5-1-4-2-6-3/h1-2H,(H,8,9)(H,4,5,6,7)/p-1
InChIKeyKQTHYTFYCOFAJV-UHFFFAOYSA-M
XLogP-0.92
TPSA90.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-1,3,5-triazine?
The IUPAC name of 2-(sulfinatoamino)-1,3,5-triazine (CID 54387720) is 2-(sulfinatoamino)-1,3,5-triazine.
What is the SMILES notation for 2-(sulfinatoamino)-1,3,5-triazine?
The canonical SMILES for 2-(sulfinatoamino)-1,3,5-triazine is O=S([O-])Nc1ncncn1.
What is the InChIKey of 2-(sulfinatoamino)-1,3,5-triazine?
The InChIKey is KQTHYTFYCOFAJV-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4N4O2S/c8-10(9)7-3-5-1-4-2-6-3/h1-2H,(H,8,9)(H,4,5,6,7)/p-1.
What are the key properties of 2-(sulfinatoamino)-1,3,5-triazine?
2-(sulfinatoamino)-1,3,5-triazine has a molecular weight of 159.15 g/mol, XLogP of -0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfinatoamino)-1,3,5-triazine is sourced from PubChem (CID 54387720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).