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

C9H12N4S2 — CID 22987614

IUPAC6-[bis(prop-1-en-2-yl)amino]-1H-1,3,5-triazine-2,4-dithione
SMILESC=C(C)N(C(=C)C)c1nc(=S)[nH]c(=S)[nH]1
InChIInChI=1S/C9H12N4S2/c1-5(2)13(6(3)4)7-10-8(14)12-9(15)11-7/h1,3H2,2,4H3,(H2,10,11,12,14,15)
InChIKeyMQQLFATZTFDWAT-UHFFFAOYSA-N
MW240.36 g/mol
LogP3.07
Rot. Bonds3

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

6-[bis(prop-1-en-2-yl)amino]-1H-1,3,5-triazine-2,4-dithione (PubChem CID 22987614) has the molecular formula C9H12N4S2 and a molecular weight of 240.36 g/mol. Its IUPAC name is 6-[bis(prop-1-en-2-yl)amino]-1H-1,3,5-triazine-2,4-dithione.

Molecular Properties

Compound Name6-[bis(prop-1-en-2-yl)amino]-1H-1,3,5-triazine-2,4-dithione
PubChem CID22987614
Molecular FormulaC9H12N4S2
Molecular Weight240.36 g/mol
Exact Mass240.05
IUPAC Name6-[bis(prop-1-en-2-yl)amino]-1H-1,3,5-triazine-2,4-dithione
SMILESC=C(C)N(C(=C)C)c1nc(=S)[nH]c(=S)[nH]1
InChIInChI=1S/C9H12N4S2/c1-5(2)13(6(3)4)7-10-8(14)12-9(15)11-7/h1,3H2,2,4H3,(H2,10,11,12,14,15)
InChIKeyMQQLFATZTFDWAT-UHFFFAOYSA-N
XLogP3.07
TPSA47.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[bis(prop-1-en-2-yl)amino]-1H-1,3,5-triazine-2,4-dithione?
The IUPAC name of 6-[bis(prop-1-en-2-yl)amino]-1H-1,3,5-triazine-2,4-dithione (CID 22987614) is 6-[bis(prop-1-en-2-yl)amino]-1H-1,3,5-triazine-2,4-dithione.
What is the SMILES notation for 6-[bis(prop-1-en-2-yl)amino]-1H-1,3,5-triazine-2,4-dithione?
The canonical SMILES for 6-[bis(prop-1-en-2-yl)amino]-1H-1,3,5-triazine-2,4-dithione is C=C(C)N(C(=C)C)c1nc(=S)[nH]c(=S)[nH]1.
What is the InChIKey of 6-[bis(prop-1-en-2-yl)amino]-1H-1,3,5-triazine-2,4-dithione?
The InChIKey is MQQLFATZTFDWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S2/c1-5(2)13(6(3)4)7-10-8(14)12-9(15)11-7/h1,3H2,2,4H3,(H2,10,11,12,14,15).
What are the key properties of 6-[bis(prop-1-en-2-yl)amino]-1H-1,3,5-triazine-2,4-dithione?
6-[bis(prop-1-en-2-yl)amino]-1H-1,3,5-triazine-2,4-dithione has a molecular weight of 240.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(prop-1-en-2-yl)amino]-1H-1,3,5-triazine-2,4-dithione is sourced from PubChem (CID 22987614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).