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Molecule
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
Identifiers
CAS Registry Number
51707-55-2
SMILES
OC(=Nc1ccccc1)Nc1cnns1
InChI Key
HFCYZXMHUIHAQI-UHFFFAOYSA-N
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)
Names and Synonyms
- Thidiazuron Common Name
- Urea, N-phenyl-N′-1,2,3-thiadiazol-5-yl- Synonym
- 1,2,3-Thiadiazole, urea deriv. Synonym
- N-Phenyl-N′-1,2,3-thiadiazol-5-ylurea Synonym
- Thidiazuron Synonym
- SN 49537 Synonym
- Dropp Synonym
- 1-Phenyl-3-(1,2,3-thiadiazol-5-yl)urea Synonym
- TAG (plant growth regulator) Synonym
- TAG Synonym
- TDZ Synonym
- Lift Synonym
- Dropp SC Synonym
- Avguron Synonym
- CCG-24904 Synonym
- Gross Synonym
- 1-Phenyl-3-(1,2,3-thiadiazole-5-yl)-urea Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 220.26 g/mol | CAS Common Chemistry |
| 220.25699999999998 g/mol | RDKit | |
| 220.257 g/mol | RDKit | |
| 220.25 g/mol | chempirical lib | |
| 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 |
| 2.1957 | RDKit | |
| Molar Refractivity | 59.69750000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 220.041881876 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 220.26 g/mol. Edit any field — others recompute live.
