sodium;6-amino-1H-1,3,5-triazine-2-thione;triethoxy(propyl)silane

C12H25N4NaO3SSi — CID 88574420

IUPACsodium;6-amino-1H-1,3,5-triazine-2-thione;triethoxy(propyl)silane
SMILESNc1ncnc(=S)[nH]1.[CH2-]CC[Si](OCC)(OCC)OCC.[Na+]
InChIInChI=1S/C9H21O3Si.C3H4N4S.Na/c1-5-9-13(10-6-2,11-7-3)12-8-4;4-2-5-1-6-3(8)7-2;/h1,5-9H2,2-4H3;1H,(H3,4,5,6,7,8);/q-1;;+1
InChIKeyBZSPCJVTQHDCRV-UHFFFAOYSA-N
MW356.50 g/mol
LogP-0.62
Rot. Bonds8

About sodium;6-amino-1H-1,3,5-triazine-2-thione;triethoxy(propyl)silane

sodium;6-amino-1H-1,3,5-triazine-2-thione;triethoxy(propyl)silane (PubChem CID 88574420) has the molecular formula C12H25N4NaO3SSi and a molecular weight of 356.50 g/mol. Its IUPAC name is sodium;6-amino-1H-1,3,5-triazine-2-thione;triethoxy(propyl)silane.

Molecular Properties

Compound Namesodium;6-amino-1H-1,3,5-triazine-2-thione;triethoxy(propyl)silane
PubChem CID88574420
Molecular FormulaC12H25N4NaO3SSi
Molecular Weight356.50 g/mol
Exact Mass356.13
IUPAC Namesodium;6-amino-1H-1,3,5-triazine-2-thione;triethoxy(propyl)silane
SMILESNc1ncnc(=S)[nH]1.[CH2-]CC[Si](OCC)(OCC)OCC.[Na+]
InChIInChI=1S/C9H21O3Si.C3H4N4S.Na/c1-5-9-13(10-6-2,11-7-3)12-8-4;4-2-5-1-6-3(8)7-2;/h1,5-9H2,2-4H3;1H,(H3,4,5,6,7,8);/q-1;;+1
InChIKeyBZSPCJVTQHDCRV-UHFFFAOYSA-N
XLogP-0.62
TPSA95.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;6-amino-1H-1,3,5-triazine-2-thione;triethoxy(propyl)silane?
The IUPAC name of sodium;6-amino-1H-1,3,5-triazine-2-thione;triethoxy(propyl)silane (CID 88574420) is sodium;6-amino-1H-1,3,5-triazine-2-thione;triethoxy(propyl)silane.
What is the SMILES notation for sodium;6-amino-1H-1,3,5-triazine-2-thione;triethoxy(propyl)silane?
The canonical SMILES for sodium;6-amino-1H-1,3,5-triazine-2-thione;triethoxy(propyl)silane is Nc1ncnc(=S)[nH]1.[CH2-]CC[Si](OCC)(OCC)OCC.[Na+].
What is the InChIKey of sodium;6-amino-1H-1,3,5-triazine-2-thione;triethoxy(propyl)silane?
The InChIKey is BZSPCJVTQHDCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O3Si.C3H4N4S.Na/c1-5-9-13(10-6-2,11-7-3)12-8-4;4-2-5-1-6-3(8)7-2;/h1,5-9H2,2-4H3;1H,(H3,4,5,6,7,8);/q-1;;+1.
What are the key properties of sodium;6-amino-1H-1,3,5-triazine-2-thione;triethoxy(propyl)silane?
sodium;6-amino-1H-1,3,5-triazine-2-thione;triethoxy(propyl)silane has a molecular weight of 356.50 g/mol, XLogP of -0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;6-amino-1H-1,3,5-triazine-2-thione;triethoxy(propyl)silane is sourced from PubChem (CID 88574420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).