sodium 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione

C9H12N4NaS2+ — CID 22987620

IUPACsodium 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione
SMILESC=CCN(CC=C)c1nc(=S)[nH]c(=S)[nH]1.[Na+]
InChIInChI=1S/C9H12N4S2.Na/c1-3-5-13(6-4-2)7-10-8(14)12-9(15)11-7;/h3-4H,1-2,5-6H2,(H2,10,11,12,14,15);/q;+1
InChIKeyUFOXGLNDELQXTI-UHFFFAOYSA-N
MW263.35 g/mol
LogP-0.62
Rot. Bonds5

About sodium 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione

sodium 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione (PubChem CID 22987620) has the molecular formula C9H12N4NaS2+ and a molecular weight of 263.35 g/mol. Its IUPAC name is sodium 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione.

Molecular Properties

Compound Namesodium 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione
PubChem CID22987620
Molecular FormulaC9H12N4NaS2+
Molecular Weight263.35 g/mol
Exact Mass263.04
IUPAC Namesodium 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione
SMILESC=CCN(CC=C)c1nc(=S)[nH]c(=S)[nH]1.[Na+]
InChIInChI=1S/C9H12N4S2.Na/c1-3-5-13(6-4-2)7-10-8(14)12-9(15)11-7;/h3-4H,1-2,5-6H2,(H2,10,11,12,14,15);/q;+1
InChIKeyUFOXGLNDELQXTI-UHFFFAOYSA-N
XLogP-0.62
TPSA47.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione?
The IUPAC name of sodium 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione (CID 22987620) is sodium 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione.
What is the SMILES notation for sodium 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione?
The canonical SMILES for sodium 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione is C=CCN(CC=C)c1nc(=S)[nH]c(=S)[nH]1.[Na+].
What is the InChIKey of sodium 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione?
The InChIKey is UFOXGLNDELQXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S2.Na/c1-3-5-13(6-4-2)7-10-8(14)12-9(15)11-7;/h3-4H,1-2,5-6H2,(H2,10,11,12,14,15);/q;+1.
What are the key properties of sodium 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione?
sodium 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione has a molecular weight of 263.35 g/mol, XLogP of -0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione is sourced from PubChem (CID 22987620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).