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

C9H12N4S2 — CID 19805192

IUPAC6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione
SMILESC=CCN(CC=C)c1nc(=S)[nH]c(=S)[nH]1
InChIInChI=1S/C9H12N4S2/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)
InChIKeyDWIJFAKFTNPZBI-UHFFFAOYSA-N
MW240.36 g/mol
LogP2.38
Rot. Bonds5

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

6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione (PubChem CID 19805192) has the molecular formula C9H12N4S2 and a molecular weight of 240.36 g/mol. Its IUPAC name is 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione.

Molecular Properties

Compound Name6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione
PubChem CID19805192
Molecular FormulaC9H12N4S2
Molecular Weight240.36 g/mol
Exact Mass240.05
IUPAC Name6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione
SMILESC=CCN(CC=C)c1nc(=S)[nH]c(=S)[nH]1
InChIInChI=1S/C9H12N4S2/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)
InChIKeyDWIJFAKFTNPZBI-UHFFFAOYSA-N
XLogP2.38
TPSA47.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.36
LogP ≤ 52.38
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 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione?
The IUPAC name of 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione (CID 19805192) is 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione.
What is the SMILES notation for 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione?
The canonical SMILES for 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.
What is the InChIKey of 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione?
The InChIKey is DWIJFAKFTNPZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S2/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).
What are the key properties of 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione?
6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione has a molecular weight of 240.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 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-2,4-dithione is sourced from PubChem (CID 19805192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).