2,6-diamino-1H-1,3,5-triazine-4-thione;sulfane

C3H7N5S2 — CID 166793466

IUPAC2,6-diamino-1H-1,3,5-triazine-4-thione;sulfane
SMILESNc1nc(=S)nc(N)[nH]1.S
InChIInChI=1S/C3H5N5S.H2S/c4-1-6-2(5)8-3(9)7-1;/h(H5,4,5,6,7,8,9);1H2
InChIKeyLOTVLLMFNCCJIA-UHFFFAOYSA-N
MW177.26 g/mol
LogP-0.19
Rot. Bonds

About 2,6-diamino-1H-1,3,5-triazine-4-thione;sulfane

2,6-diamino-1H-1,3,5-triazine-4-thione;sulfane (PubChem CID 166793466) has the molecular formula C3H7N5S2 and a molecular weight of 177.26 g/mol. Its IUPAC name is 2,6-diamino-1H-1,3,5-triazine-4-thione;sulfane.

Molecular Properties

Compound Name2,6-diamino-1H-1,3,5-triazine-4-thione;sulfane
PubChem CID166793466
Molecular FormulaC3H7N5S2
Molecular Weight177.26 g/mol
Exact Mass177.01
IUPAC Name2,6-diamino-1H-1,3,5-triazine-4-thione;sulfane
SMILESNc1nc(=S)nc(N)[nH]1.S
InChIInChI=1S/C3H5N5S.H2S/c4-1-6-2(5)8-3(9)7-1;/h(H5,4,5,6,7,8,9);1H2
InChIKeyLOTVLLMFNCCJIA-UHFFFAOYSA-N
XLogP-0.19
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-1H-1,3,5-triazine-4-thione;sulfane?
The IUPAC name of 2,6-diamino-1H-1,3,5-triazine-4-thione;sulfane (CID 166793466) is 2,6-diamino-1H-1,3,5-triazine-4-thione;sulfane.
What is the SMILES notation for 2,6-diamino-1H-1,3,5-triazine-4-thione;sulfane?
The canonical SMILES for 2,6-diamino-1H-1,3,5-triazine-4-thione;sulfane is Nc1nc(=S)nc(N)[nH]1.S.
What is the InChIKey of 2,6-diamino-1H-1,3,5-triazine-4-thione;sulfane?
The InChIKey is LOTVLLMFNCCJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N5S.H2S/c4-1-6-2(5)8-3(9)7-1;/h(H5,4,5,6,7,8,9);1H2.
What are the key properties of 2,6-diamino-1H-1,3,5-triazine-4-thione;sulfane?
2,6-diamino-1H-1,3,5-triazine-4-thione;sulfane has a molecular weight of 177.26 g/mol, XLogP of -0.19, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-1H-1,3,5-triazine-4-thione;sulfane is sourced from PubChem (CID 166793466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).