2-aminoethanol;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione

C13H27N5OS2 — CID 19805210

IUPAC2-aminoethanol;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione
SMILESCCCCN(CCCC)c1nc(=S)[nH]c(=S)[nH]1.NCCO
InChIInChI=1S/C11H20N4S2.C2H7NO/c1-3-5-7-15(8-6-4-2)9-12-10(16)14-11(17)13-9;3-1-2-4/h3-8H2,1-2H3,(H2,12,13,14,16,17);4H,1-3H2
InChIKeyRRXHYVHRHDYHDA-UHFFFAOYSA-N
MW333.53 g/mol
LogP2.54
Rot. Bonds8

About 2-aminoethanol;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione

2-aminoethanol;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione (PubChem CID 19805210) has the molecular formula C13H27N5OS2 and a molecular weight of 333.53 g/mol. Its IUPAC name is 2-aminoethanol;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione.

Molecular Properties

Compound Name2-aminoethanol;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione
PubChem CID19805210
Molecular FormulaC13H27N5OS2
Molecular Weight333.53 g/mol
Exact Mass333.17
IUPAC Name2-aminoethanol;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione
SMILESCCCCN(CCCC)c1nc(=S)[nH]c(=S)[nH]1.NCCO
InChIInChI=1S/C11H20N4S2.C2H7NO/c1-3-5-7-15(8-6-4-2)9-12-10(16)14-11(17)13-9;3-1-2-4/h3-8H2,1-2H3,(H2,12,13,14,16,17);4H,1-3H2
InChIKeyRRXHYVHRHDYHDA-UHFFFAOYSA-N
XLogP2.54
TPSA93.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.53
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-aminoethanol;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione?
The IUPAC name of 2-aminoethanol;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione (CID 19805210) is 2-aminoethanol;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione.
What is the SMILES notation for 2-aminoethanol;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione?
The canonical SMILES for 2-aminoethanol;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione is CCCCN(CCCC)c1nc(=S)[nH]c(=S)[nH]1.NCCO.
What is the InChIKey of 2-aminoethanol;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione?
The InChIKey is RRXHYVHRHDYHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S2.C2H7NO/c1-3-5-7-15(8-6-4-2)9-12-10(16)14-11(17)13-9;3-1-2-4/h3-8H2,1-2H3,(H2,12,13,14,16,17);4H,1-3H2.
What are the key properties of 2-aminoethanol;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione?
2-aminoethanol;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione has a molecular weight of 333.53 g/mol, XLogP of 2.54, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione is sourced from PubChem (CID 19805210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).