6-(hexan-2-ylamino)-1H-1,3,5-triazine-2,4-dithione

C9H16N4S2 — CID 71338412

IUPAC6-(hexan-2-ylamino)-1H-1,3,5-triazine-2,4-dithione
SMILESCCCCC(C)Nc1nc(=S)[nH]c(=S)[nH]1
InChIInChI=1S/C9H16N4S2/c1-3-4-5-6(2)10-7-11-8(14)13-9(15)12-7/h6H,3-5H2,1-2H3,(H3,10,11,12,13,14,15)
InChIKeyUJNSVIPNPJZVLK-UHFFFAOYSA-N
MW244.39 g/mol
LogP3.19
Rot. Bonds5

About 6-(hexan-2-ylamino)-1H-1,3,5-triazine-2,4-dithione

6-(hexan-2-ylamino)-1H-1,3,5-triazine-2,4-dithione (PubChem CID 71338412) has the molecular formula C9H16N4S2 and a molecular weight of 244.39 g/mol. Its IUPAC name is 6-(hexan-2-ylamino)-1H-1,3,5-triazine-2,4-dithione.

Molecular Properties

Compound Name6-(hexan-2-ylamino)-1H-1,3,5-triazine-2,4-dithione
PubChem CID71338412
Molecular FormulaC9H16N4S2
Molecular Weight244.39 g/mol
Exact Mass244.08
IUPAC Name6-(hexan-2-ylamino)-1H-1,3,5-triazine-2,4-dithione
SMILESCCCCC(C)Nc1nc(=S)[nH]c(=S)[nH]1
InChIInChI=1S/C9H16N4S2/c1-3-4-5-6(2)10-7-11-8(14)13-9(15)12-7/h6H,3-5H2,1-2H3,(H3,10,11,12,13,14,15)
InChIKeyUJNSVIPNPJZVLK-UHFFFAOYSA-N
XLogP3.19
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.39
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(hexan-2-ylamino)-1H-1,3,5-triazine-2,4-dithione?
The IUPAC name of 6-(hexan-2-ylamino)-1H-1,3,5-triazine-2,4-dithione (CID 71338412) is 6-(hexan-2-ylamino)-1H-1,3,5-triazine-2,4-dithione.
What is the SMILES notation for 6-(hexan-2-ylamino)-1H-1,3,5-triazine-2,4-dithione?
The canonical SMILES for 6-(hexan-2-ylamino)-1H-1,3,5-triazine-2,4-dithione is CCCCC(C)Nc1nc(=S)[nH]c(=S)[nH]1.
What is the InChIKey of 6-(hexan-2-ylamino)-1H-1,3,5-triazine-2,4-dithione?
The InChIKey is UJNSVIPNPJZVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S2/c1-3-4-5-6(2)10-7-11-8(14)13-9(15)12-7/h6H,3-5H2,1-2H3,(H3,10,11,12,13,14,15).
What are the key properties of 6-(hexan-2-ylamino)-1H-1,3,5-triazine-2,4-dithione?
6-(hexan-2-ylamino)-1H-1,3,5-triazine-2,4-dithione has a molecular weight of 244.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hexan-2-ylamino)-1H-1,3,5-triazine-2,4-dithione is sourced from PubChem (CID 71338412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).