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

C9H12N4S — CID 67864336

IUPAC6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2-thione
SMILESC=CCN(CC=C)c1ncnc(=S)[nH]1
InChIInChI=1S/C9H12N4S/c1-3-5-13(6-4-2)8-10-7-11-9(14)12-8/h3-4,7H,1-2,5-6H2,(H,10,11,12,14)
InChIKeyIZMAQWDXUBDUGX-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.71
Rot. Bonds5

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

6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2-thione (PubChem CID 67864336) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2-thione.

Molecular Properties

Compound Name6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2-thione
PubChem CID67864336
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2-thione
SMILESC=CCN(CC=C)c1ncnc(=S)[nH]1
InChIInChI=1S/C9H12N4S/c1-3-5-13(6-4-2)8-10-7-11-9(14)12-8/h3-4,7H,1-2,5-6H2,(H,10,11,12,14)
InChIKeyIZMAQWDXUBDUGX-UHFFFAOYSA-N
XLogP1.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
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 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2-thione?
The IUPAC name of 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2-thione (CID 67864336) is 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2-thione.
What is the SMILES notation for 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2-thione?
The canonical SMILES for 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2-thione is C=CCN(CC=C)c1ncnc(=S)[nH]1.
What is the InChIKey of 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2-thione?
The InChIKey is IZMAQWDXUBDUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-3-5-13(6-4-2)8-10-7-11-9(14)12-8/h3-4,7H,1-2,5-6H2,(H,10,11,12,14).
What are the key properties of 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2-thione?
6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2-thione has a molecular weight of 208.29 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2-thione is sourced from PubChem (CID 67864336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).