6-amino-1,6-dibutyl-1,3,5-triazinane-2,4-dithione

C11H22N4S2 — CID 174317178

IUPAC6-amino-1,6-dibutyl-1,3,5-triazinane-2,4-dithione
SMILESCCCCN1C(=S)NC(=S)NC1(N)CCCC
InChIInChI=1S/C11H22N4S2/c1-3-5-7-11(12)14-9(16)13-10(17)15(11)8-6-4-2/h3-8,12H2,1-2H3,(H2,13,14,16,17)
InChIKeyRYUAKHHURCDDED-UHFFFAOYSA-N
MW274.46 g/mol
LogP1.65
Rot. Bonds6

About 6-amino-1,6-dibutyl-1,3,5-triazinane-2,4-dithione

6-amino-1,6-dibutyl-1,3,5-triazinane-2,4-dithione (PubChem CID 174317178) has the molecular formula C11H22N4S2 and a molecular weight of 274.46 g/mol. Its IUPAC name is 6-amino-1,6-dibutyl-1,3,5-triazinane-2,4-dithione.

Molecular Properties

Compound Name6-amino-1,6-dibutyl-1,3,5-triazinane-2,4-dithione
PubChem CID174317178
Molecular FormulaC11H22N4S2
Molecular Weight274.46 g/mol
Exact Mass274.13
IUPAC Name6-amino-1,6-dibutyl-1,3,5-triazinane-2,4-dithione
SMILESCCCCN1C(=S)NC(=S)NC1(N)CCCC
InChIInChI=1S/C11H22N4S2/c1-3-5-7-11(12)14-9(16)13-10(17)15(11)8-6-4-2/h3-8,12H2,1-2H3,(H2,13,14,16,17)
InChIKeyRYUAKHHURCDDED-UHFFFAOYSA-N
XLogP1.65
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.46
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 6-amino-1,6-dibutyl-1,3,5-triazinane-2,4-dithione?
The IUPAC name of 6-amino-1,6-dibutyl-1,3,5-triazinane-2,4-dithione (CID 174317178) is 6-amino-1,6-dibutyl-1,3,5-triazinane-2,4-dithione.
What is the SMILES notation for 6-amino-1,6-dibutyl-1,3,5-triazinane-2,4-dithione?
The canonical SMILES for 6-amino-1,6-dibutyl-1,3,5-triazinane-2,4-dithione is CCCCN1C(=S)NC(=S)NC1(N)CCCC.
What is the InChIKey of 6-amino-1,6-dibutyl-1,3,5-triazinane-2,4-dithione?
The InChIKey is RYUAKHHURCDDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S2/c1-3-5-7-11(12)14-9(16)13-10(17)15(11)8-6-4-2/h3-8,12H2,1-2H3,(H2,13,14,16,17).
What are the key properties of 6-amino-1,6-dibutyl-1,3,5-triazinane-2,4-dithione?
6-amino-1,6-dibutyl-1,3,5-triazinane-2,4-dithione has a molecular weight of 274.46 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,6-dibutyl-1,3,5-triazinane-2,4-dithione is sourced from PubChem (CID 174317178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).