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Prometryn
CAS: 7287-19-6 | C10H19N5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7287-19-6
Molecular Formula:
C10H19N5S
Molecular Mass:
241.36 g/mol
Names and Synonyms:
Prometryn
1,3,5-Triazine-2,4-diamine, N2,N4-bis(1-methylethyl)-6-(methylthio)-
s-Triazine, 2,4-bis(isopropylamino)-6-(methylthio)-
1,3,5-Triazine-2,4-diamine, N,N′-bis(1-methylethyl)-6-(methylthio)-
N2,N4-Bis(1-methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine
G 34161
2,4-Bis(isopropylamino)-6-(methylthio)-s-triazine
Caparol
2-Methylmercapto-4,6-bis(isopropylamino)-s-triazine
2-Methylthio-4,6-bis(isopropylamino)-s-triazine
Prometryn
A 1114
Gesagard 50
Gesagard
Prometryne
Selectin 50
Uvon
4,6-Bis(isopropylamino)-2-(methylthio)-1,3,5-triazine
Mercazin
Selectin
2,4-Bis(isopropylamino)-6-methylmercapto-s-triazine
2-Methylthio-4,6-bis(isopropylamino)-1,3,5-triazine
4,6-Bis(isopropylamino)-2-(methylthio)-s-triazine
2-Methylmercapto-4,6-bis(isopropylamino)-1,3,5-triazine
2-(Methylthio)-4,6-diisopropylamino-1,3,5-triazine
Selektin
Promepin
Prohelan
2-Methylthio-4,6-bis(isopropylamino)-sym-triazine
Cosatrin
Prometrin S 50
Cotogard
Selectin (herbicide)
Azogard
Prometrex
NSC 163049
N,N′-Bis(1-methylethyl)-6-methylthio-1,3,5-triazine-2,4-diamine
Promethryn
Identifiers:
SMILES:
CSc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
InChI:
InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)
Key Properties
Boiling Point
>300 °C
CAS Common Chemistry
Melting Point
118-120 °C
CAS Common Chemistry
Density
1.15 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 241.36 g/mol | CAS Common Chemistry |
| 241.36400000000003 g/mol | RDKit | |
| 241.13611660799998 g/mol | RDKit | |
| Density | 1.15 g/cm³ | CAS Common Chemistry |
| 1.15 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | >300 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C(=NC(=NC1NC(C)C)NC(C)C)SC | CAS Common Chemistry |
| InChI | InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=AAEVYOVXGOFMJO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 118-120 °C | CAS Common Chemistry |
| Name | Prometryn | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 69.19 Ų | RDKit |
| LogP | 1.0778999999999994 | RDKit |
| Molar Refractivity | 66.11740000000002 | RDKit |
