[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-hexylazanium dichloride

C9H17Cl2N4S2- — CID 19785018

IUPAC[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-hexylazanium dichloride
SMILESCCCCCC[NH2+]c1nc(=S)[nH]c(=S)[nH]1.[Cl-].[Cl-]
InChIInChI=1S/C9H16N4S2.2ClH/c1-2-3-4-5-6-10-7-11-8(14)13-9(15)12-7;;/h2-6H2,1H3,(H3,10,11,12,13,14,15);2*1H/p-1
InChIKeyYVBLYNWHQMJXFR-UHFFFAOYSA-M
MW316.30 g/mol
LogP-4.02
Rot. Bonds6

About [4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-hexylazanium dichloride

[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-hexylazanium dichloride (PubChem CID 19785018) has the molecular formula C9H17Cl2N4S2- and a molecular weight of 316.30 g/mol. Its IUPAC name is [4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-hexylazanium dichloride.

Molecular Properties

Compound Name[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-hexylazanium dichloride
PubChem CID19785018
Molecular FormulaC9H17Cl2N4S2-
Molecular Weight316.30 g/mol
Exact Mass315.03
IUPAC Name[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-hexylazanium dichloride
SMILESCCCCCC[NH2+]c1nc(=S)[nH]c(=S)[nH]1.[Cl-].[Cl-]
InChIInChI=1S/C9H16N4S2.2ClH/c1-2-3-4-5-6-10-7-11-8(14)13-9(15)12-7;;/h2-6H2,1H3,(H3,10,11,12,13,14,15);2*1H/p-1
InChIKeyYVBLYNWHQMJXFR-UHFFFAOYSA-M
XLogP-4.02
TPSA61.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 5-4.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-hexylazanium dichloride 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 [4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-hexylazanium dichloride?
The IUPAC name of [4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-hexylazanium dichloride (CID 19785018) is [4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-hexylazanium dichloride.
What is the SMILES notation for [4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-hexylazanium dichloride?
The canonical SMILES for [4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-hexylazanium dichloride is CCCCCC[NH2+]c1nc(=S)[nH]c(=S)[nH]1.[Cl-].[Cl-].
What is the InChIKey of [4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-hexylazanium dichloride?
The InChIKey is YVBLYNWHQMJXFR-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H16N4S2.2ClH/c1-2-3-4-5-6-10-7-11-8(14)13-9(15)12-7;;/h2-6H2,1H3,(H3,10,11,12,13,14,15);2*1H/p-1.
What are the key properties of [4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-hexylazanium dichloride?
[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-hexylazanium dichloride has a molecular weight of 316.30 g/mol, XLogP of -4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-hexylazanium dichloride is sourced from PubChem (CID 19785018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).