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Terbutryn
CAS: 886-50-0 | C10H19N5S
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
886-50-0
Molecular Formula:
C10H19N5S
Molecular Mass:
241.36 g/mol
Names and Synonyms:
Terbutryn
1,3,5-Triazine-2,4-diamine, N2-(1,1-dimethylethyl)-N4-ethyl-6-(methylthio)-
s-Triazine, 2-(tert-butylamino)-4-(ethylamino)-6-(methylthio)-
1,3,5-Triazine-2,4-diamine, N-(1,1-dimethylethyl)-N′-ethyl-6-(methylthio)-
N2-(1,1-Dimethylethyl)-N4-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine
GS 14260
2-tert-Butylamino-4-ethylamino-6-methylthio-s-triazine
4-Ethylamino-2-methylthio-6-tert-butylamino-1,3,5-triazine
6-tert-Butylamino-4-ethylamino-2-methylthio-1,3,5-triazine
Igran 500
Igran 50
2-Methylthio-4-ethylamino-6-tert-butylamino-s-triazine
Terbutryne
Terbutryn
A 1866
2-Ethylamino-4-methylthio-6-tert-butylamino-1,3,5-triazine
Igran
2-Methylmercapto-4-ethylamino-6-tert-butylamino-1,3,5-triazine
Clarosan
Terbutrex
Saterb
tert-Butryn
2-Methylthio-4-tert-butylamino-6-ethylamino-s-triazine
Prebane
Identifiers:
SMILES:
CCN=c1nc(NC(C)(C)C)[nH]c(SC)n1
InChI:
InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)
Key Properties
Boiling Point
154-160 °C @ Press: 0.06 Torr
CAS Common Chemistry
Melting Point
104 °C
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 |
| 241.364 g/mol | RDKit | |
| 241.13611660799998 g/mol | RDKit | |
| Boiling Point | 154-160 °C @ Press: 0.06 Torr | CAS Common Chemistry |
| Canonical SMILES | N=1C(=NC(=NC1NCC)NC(C)(C)C)SC | CAS Common Chemistry |
| InChI | InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=IROINLKCQGIITA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 104 °C | CAS Common Chemistry |
| Name | Terbutryn | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 65.96000000000001 Ų | RDKit |
| LogP | 1.6575999999999997 | RDKit |
| Molar Refractivity | 67.64340000000004 | RDKit |
