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Thiabendazole
CAS: 148-79-8 | C10H7N3S
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
148-79-8
Molecular Formula:
C10H7N3S
Molecular Mass:
201.25 g/mol
Names and Synonyms:
Thiabendazole
1H-Benzimidazole, 2-(4-thiazolyl)-
Drawipas
Benzimidazole, 2-(4-thiazolyl)-
2-(4-Thiazolyl)-1H-benzimidazole
MK 360
Mintezol
Thiabendazole
Thiabenzole
2-(4-Thiazolyl)benzimidazole
TBZ 60W
Mertect 160
Mertect
TBZ
Thiabendazol
Tecto
Thibenzol
2-(4′-Thiazolyl)benzimidazole
Equizole
Tecto 60
Mintesol
Thibenzole
Thibenzole 200
Tiabendazol
Tiabendazole
Minzolum
Triasox
Omnizole
Tiabenda
Metasol TK 100
Tebuzate
TBZ 6
Tecto 40F
Tecto 10P
Tibimix 20
Thibendole
Thiabendole
Sistesan
Sanaizol 100
MSD 18
Chemviron TK 100
Tecto B
5-(4-Thiazolyl)benzimidazole
G 491
Storite
Ormogal
Cropasal
Mertect 340F
Tectab
Tecta
Pitrizet
Mertect LSP
Hokkustar HP
Hokustar HP
Syntol M 100
TBZ (fungicide)
2-(4′-Thiazoyl)benzimidazole
2-(4-Thiazolyl)-1H-benzoimidazole
Amolden HS
2-(4-Triazolyl)benzimidazole
Bovizole
Lombristop
Polival
Top Form Wormer
Thiaben
Eprofil
Nemapan
Sanaizol TBZ-FL 25
NSC 525040
NSC 90507
Marukacide M 101
2-(1,3-Thiazol-4-yl)-1H-benzimidazole
Metasol TK 25AD
TK 25AD
Irgaguard F 3000
Metasol TK 25
4-(1H-Benzimidazol-2-yl)thiazole
Metasol TK 50AD
2-(4-Thiazoyl)benzimidazole
Biogard TBH
2-(1,3-Thiazol-4-yl)benzimidazole
2-(1,3-Thiazol-4-yl)-1H-1,3-benzodiazole
Neo-Sintol AF 75
Identifiers:
SMILES:
c1ccc2[nH]c(-c3cscn3)nc2c1
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)
Key Properties
Melting Point
304-305 °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 | 201.25 g/mol | CAS Common Chemistry |
| 201.254 g/mol | RDKit | |
| 201.036068224 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 | RDKit |
