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Thidiazuron
CAS: 51707-55-2 | C9H8N4OS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51707-55-2
Molecular Formula:
C9H8N4OS
Molecular Mass:
220.26 g/mol
Names and Synonyms:
Thidiazuron
Urea, N-phenyl-N′-1,2,3-thiadiazol-5-yl-
1,2,3-Thiadiazole, urea deriv.
N-Phenyl-N′-1,2,3-thiadiazol-5-ylurea
Thidiazuron
SN 49537
Dropp
1-Phenyl-3-(1,2,3-thiadiazol-5-yl)urea
TAG (plant growth regulator)
TAG
TDZ
Lift
Dropp SC
Avguron
CCG-24904
Gross
1-Phenyl-3-(1,2,3-thiadiazole-5-yl)-urea
Identifiers:
SMILES:
OC(=Nc1ccccc1)Nc1cnns1
InChI:
InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)
Key Properties
Melting Point
211 °C (decomp)
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 | 220.26 g/mol | CAS Common Chemistry |
| 220.25699999999998 g/mol | RDKit | |
| 220.041881876 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Thidiazuron | CAS Common Chemistry |
| Canonical SMILES | O=C(NC=1SN=NC1)NC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14) | CAS Common Chemistry |
| InChI Key | InChIKey=HFCYZXMHUIHAQI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 211 °C (decomp) | CAS Common Chemistry |
| Name | Thidiazuron | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 70.4 Ų | RDKit |
| LogP | 2.1957000000000004 | RDKit |
| Molar Refractivity | 59.69750000000001 | RDKit |
