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Molecule
Thiabendazole
CAS: 148-79-8 · C10H7N3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 148-79-8
- Molecular Formula
- C10H7N3S
- Molecular Mass
- 201.25 g/mol
Identifiers
CAS Registry Number
148-79-8
SMILES
c1ccc2[nH]c(-c3cscn3)nc2c1
InChI Key
WJCNZQLZVWNLKY-UHFFFAOYSA-N
InChI
InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
Names and Synonyms
- Thiabendazole Common Name
- 1H-Benzimidazole, 2-(4-thiazolyl)- Synonym
- Drawipas Synonym
- Benzimidazole, 2-(4-thiazolyl)- Synonym
- 2-(4-Thiazolyl)-1H-benzimidazole Synonym
- MK 360 Synonym
- Mintezol Synonym
- Thiabendazole Synonym
- Thiabenzole Synonym
- 2-(4-Thiazolyl)benzimidazole Synonym
- TBZ 60W Synonym
- Mertect 160 Synonym
- Mertect Synonym
- TBZ Synonym
- Thiabendazol Synonym
- Tecto Synonym
- Thibenzol Synonym
- 2-(4′-Thiazolyl)benzimidazole Synonym
- Equizole Synonym
- Tecto 60 Synonym
- Mintesol Synonym
- Thibenzole Synonym
- Thibenzole 200 Synonym
- Tiabendazol Synonym
- Tiabendazole Synonym
- Minzolum Synonym
- Triasox Synonym
- Omnizole Synonym
- Tiabenda Synonym
- Metasol TK 100 Synonym
- Tebuzate Synonym
- TBZ 6 Synonym
- Tecto 40F Synonym
- Tecto 10P Synonym
- Tibimix 20 Synonym
- Thibendole Synonym
- Thiabendole Synonym
- Sistesan Synonym
- Sanaizol 100 Synonym
- MSD 18 Synonym
- Chemviron TK 100 Synonym
- Tecto B Synonym
- 5-(4-Thiazolyl)benzimidazole Synonym
- G 491 Synonym
- Storite Synonym
- Ormogal Synonym
- Cropasal Synonym
- Mertect 340F Synonym
- Tectab Synonym
- Tecta Synonym
- Pitrizet Synonym
- Mertect LSP Synonym
- Hokkustar HP Synonym
- Hokustar HP Synonym
- Syntol M 100 Synonym
- TBZ (fungicide) Synonym
- 2-(4′-Thiazoyl)benzimidazole Synonym
- 2-(4-Thiazolyl)-1H-benzoimidazole Synonym
- Amolden HS Synonym
- 2-(4-Triazolyl)benzimidazole Synonym
- Bovizole Synonym
- Lombristop Synonym
- Polival Synonym
- Top Form Wormer Synonym
- Thiaben Synonym
- Eprofil Synonym
- Nemapan Synonym
- Sanaizol TBZ-FL 25 Synonym
- NSC 525040 Synonym
- NSC 90507 Synonym
- Marukacide M 101 Synonym
- 2-(1,3-Thiazol-4-yl)-1H-benzimidazole Synonym
- Metasol TK 25AD Synonym
- TK 25AD Synonym
- Irgaguard F 3000 Synonym
- Metasol TK 25 Synonym
- 4-(1H-Benzimidazol-2-yl)thiazole Synonym
- Metasol TK 50AD Synonym
- 2-(4-Thiazoyl)benzimidazole Synonym
- Biogard TBH Synonym
- 2-(1,3-Thiazol-4-yl)benzimidazole Synonym
- 2-(1,3-Thiazol-4-yl)-1H-1,3-benzodiazole Synonym
- Neo-Sintol AF 75 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 201.25 g/mol | CAS Common Chemistry |
| 201.254 g/mol | RDKit | |
| Canonical SMILES | N1=CSC=C1C2=NC3=CC=CC=C3N2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=WJCNZQLZVWNLKY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 304-305 °C | CAS Common Chemistry |
| Name | Thiabendazole | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 41.57 Ų | RDKit |
| LogP | 2.6864 | RDKit |
| Molar Refractivity | 57.20170000000001 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 201.036068224 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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20
0 ppm
| 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.
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MW = 201.25 g/mol. Edit any field — others recompute live.
