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

C15H31N5S2 — CID 19805196

IUPACbutan-1-amine;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione
SMILESCCCCN.CCCCN(CCCC)c1nc(=S)[nH]c(=S)[nH]1
InChIInChI=1S/C11H20N4S2.C4H11N/c1-3-5-7-15(8-6-4-2)9-12-10(16)14-11(17)13-9;1-2-3-4-5/h3-8H2,1-2H3,(H2,12,13,14,16,17);2-5H2,1H3
InChIKeyNMRYHYKVFSGHCS-UHFFFAOYSA-N
MW345.58 g/mol
LogP4.35
Rot. Bonds9

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

butan-1-amine;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione (PubChem CID 19805196) has the molecular formula C15H31N5S2 and a molecular weight of 345.58 g/mol. Its IUPAC name is butan-1-amine;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione.

Molecular Properties

Compound Namebutan-1-amine;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione
PubChem CID19805196
Molecular FormulaC15H31N5S2
Molecular Weight345.58 g/mol
Exact Mass345.20
IUPAC Namebutan-1-amine;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione
SMILESCCCCN.CCCCN(CCCC)c1nc(=S)[nH]c(=S)[nH]1
InChIInChI=1S/C11H20N4S2.C4H11N/c1-3-5-7-15(8-6-4-2)9-12-10(16)14-11(17)13-9;1-2-3-4-5/h3-8H2,1-2H3,(H2,12,13,14,16,17);2-5H2,1H3
InChIKeyNMRYHYKVFSGHCS-UHFFFAOYSA-N
XLogP4.35
TPSA73.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.58
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Triazine-2,4(1H,3H)-dithione, 6-(dibutylamino)-
CID 3035346
4-(Dimethylamino)-6-(isobutylamino)-1,3,5-triazine-2-thiol
CID 898985
1,3,5-Triazine-2(1H)-thione, 6-(diethylamino)-4-(ethylamino)-
CID 3034344
4-(Butylamino)-6-(dimethylamino)-1,3,5-triazine-2-thiol
CID 2980739
1,3,5-Triazine-2,4(1H,3H)-dithione, 6-(dibutylamino)-, sodium salt (1:1)
CID 23715169
sodium 6-(dibutylamino)-4-sulfanylidene-1H-1,3,5-triazine-2-thiolate
CID 23690101
Tripropylammonium trithiocyanurate
CID 139079904
6-(Butylamino)-1,3,5-triazine-2,4(1H,3H)-dithione
CID 14345024
6-(Octylamino)-1,3,5-triazine-2,4(1H,3H)-dithione
CID 14345025
[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-hexylazanium dichloride
CID 19785018
6-(Hexylamino)-1,3,5-triazine-2,4(1H,3H)-dithione
CID 19785019
6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;N,N-diethylethanamine
CID 19805203

Frequently Asked Questions

What is the IUPAC name of butan-1-amine;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione?
The IUPAC name of butan-1-amine;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione (CID 19805196) is butan-1-amine;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione.
What is the SMILES notation for butan-1-amine;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione?
The canonical SMILES for butan-1-amine;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione is CCCCN.CCCCN(CCCC)c1nc(=S)[nH]c(=S)[nH]1.
What is the InChIKey of butan-1-amine;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione?
The InChIKey is NMRYHYKVFSGHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S2.C4H11N/c1-3-5-7-15(8-6-4-2)9-12-10(16)14-11(17)13-9;1-2-3-4-5/h3-8H2,1-2H3,(H2,12,13,14,16,17);2-5H2,1H3.
What are the key properties of butan-1-amine;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione?
butan-1-amine;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione has a molecular weight of 345.58 g/mol, XLogP of 4.35, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione is sourced from PubChem (CID 19805196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).