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

C9H13LiN4S2 — CID 173248725

IUPAClithium;6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;hydride
SMILESC=CCN(CC=C)c1nc(=S)[nH]c(=S)[nH]1.[H-].[Li+]
InChIInChI=1S/C9H12N4S2.Li.H/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;-1
InChIKeyJBKBMTZAMDGVBZ-UHFFFAOYSA-N
MW248.31 g/mol
LogP-0.51
Rot. Bonds5

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

lithium;6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;hydride (PubChem CID 173248725) has the molecular formula C9H13LiN4S2 and a molecular weight of 248.31 g/mol. Its IUPAC name is lithium;6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;hydride.

Molecular Properties

Compound Namelithium;6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;hydride
PubChem CID173248725
Molecular FormulaC9H13LiN4S2
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Namelithium;6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;hydride
SMILESC=CCN(CC=C)c1nc(=S)[nH]c(=S)[nH]1.[H-].[Li+]
InChIInChI=1S/C9H12N4S2.Li.H/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;-1
InChIKeyJBKBMTZAMDGVBZ-UHFFFAOYSA-N
XLogP-0.51
TPSA47.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-0.51
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 lithium;6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;hydride?
The IUPAC name of lithium;6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;hydride (CID 173248725) is lithium;6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;hydride.
What is the SMILES notation for lithium;6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;hydride?
The canonical SMILES for lithium;6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;hydride is C=CCN(CC=C)c1nc(=S)[nH]c(=S)[nH]1.[H-].[Li+].
What is the InChIKey of lithium;6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;hydride?
The InChIKey is JBKBMTZAMDGVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S2.Li.H/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;-1.
What are the key properties of lithium;6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;hydride?
lithium;6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;hydride has a molecular weight of 248.31 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;hydride is sourced from PubChem (CID 173248725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).