Back to Search
Molecule
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
Identifiers
CAS Registry Number
7287-19-6
SMILES
CSc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
InChI Key
AAEVYOVXGOFMJO-UHFFFAOYSA-N
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)
Names and Synonyms
- Prometryn Synonym
- 1,3,5-Triazine-2,4-diamine, N2,N4-bis(1-methylethyl)-6-(methylthio)- Synonym
- s-Triazine, 2,4-bis(isopropylamino)-6-(methylthio)- Synonym
- 1,3,5-Triazine-2,4-diamine, N,N′-bis(1-methylethyl)-6-(methylthio)- Synonym
- N2,N4-Bis(1-methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine Synonym
- G 34161 Synonym
- 2,4-Bis(isopropylamino)-6-(methylthio)-s-triazine Synonym
- Caparol Synonym
- 2-Methylmercapto-4,6-bis(isopropylamino)-s-triazine Synonym
- 2-Methylthio-4,6-bis(isopropylamino)-s-triazine Synonym
- Prometryn Synonym
- A 1114 Synonym
- Gesagard 50 Synonym
- Gesagard Synonym
- Prometryne Synonym
- Selectin 50 Synonym
- Uvon Synonym
- 4,6-Bis(isopropylamino)-2-(methylthio)-1,3,5-triazine Synonym
- Mercazin Synonym
- Selectin Synonym
- 2,4-Bis(isopropylamino)-6-methylmercapto-s-triazine Synonym
- 2-Methylthio-4,6-bis(isopropylamino)-1,3,5-triazine Synonym
- 4,6-Bis(isopropylamino)-2-(methylthio)-s-triazine Synonym
- 2-Methylmercapto-4,6-bis(isopropylamino)-1,3,5-triazine Synonym
- 2-(Methylthio)-4,6-diisopropylamino-1,3,5-triazine Synonym
- Selektin Synonym
- Promepin Synonym
- Prohelan Synonym
- 2-Methylthio-4,6-bis(isopropylamino)-sym-triazine Synonym
- Cosatrin Synonym
- Prometrin S 50 Synonym
- Cotogard Synonym
- Selectin (herbicide) Synonym
- Azogard Synonym
- Prometrex Synonym
- NSC 163049 Synonym
- N,N′-Bis(1-methylethyl)-6-methylthio-1,3,5-triazine-2,4-diamine Synonym
- Promethryn Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 241.36 g/mol | CAS Common Chemistry |
| 241.36400000000003 g/mol | RDKit | |
| 241.364 g/mol | RDKit | |
| 242.242 g/mol | chempirical lib | |
| Density | 1.15 g/cm³ | CAS Common Chemistry |
| 1.15 g/cm3 @ 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 |
| 1.0779 | RDKit | |
| 1.12 | chempirical lib | |
| Molar Refractivity | 66.11740000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7 | RDKit |
| Exact Mass | 241.13611660799998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 241.36 g/mol; density = 1.150 g/mL. Edit any field — others recompute live.
