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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 Weight: 201.254 g/mol

Names and Synonyms:

Thiabendazole
Neo-Sintol AF 75
2-(1,3-Thiazol-4-yl)-1H-1,3-benzodiazole
2-(1,3-Thiazol-4-yl)benzimidazole
Biogard TBH
2-(4-Thiazoyl)benzimidazole
Metasol TK 50AD
4-(1H-Benzimidazol-2-yl)thiazole
Metasol TK 25
Irgaguard F 3000
TK 25AD
Metasol TK 25AD
2-(1,3-Thiazol-4-yl)-1H-benzimidazole
Marukacide M 101
NSC 90507
NSC 525040
Sanaizol TBZ-FL 25
Nemapan
Eprofil
Thiaben
Top Form Wormer
Polival
Lombristop
Bovizole
2-(4-Triazolyl)benzimidazole
Amolden HS
2-(4-Thiazolyl)-1H-benzoimidazole
2-(4′-Thiazoyl)benzimidazole
TBZ (fungicide)
Syntol M 100
Hokustar HP
Hokkustar HP
Mertect LSP
Pitrizet
Tecta
Tectab
Mertect 340F
Cropasal
Ormogal
Storite
G 491
5-(4-Thiazolyl)benzimidazole
Tecto B
Chemviron TK 100
MSD 18
Sanaizol 100
Sistesan
Thiabendole
Thibendole
Tibimix 20
Tecto 10P
Tecto 40F
TBZ 6
Tebuzate
Metasol TK 100
Tiabenda
Omnizole
Triasox
Minzolum
Tiabendazole
Tiabendazol
Thibenzole 200
Thibenzole
Mintesol
Tecto 60
Equizole
2-(4′-Thiazolyl)benzimidazole
Thibenzol
Tecto
Thiabendazol
TBZ
Mertect
Mertect 160
TBZ 60W
2-(4-Thiazolyl)benzimidazole
Thiabenzole
Thiabendazole
Mintezol
MK 360
2-(4-Thiazolyl)-1H-benzimidazole
Benzimidazole, 2-(4-thiazolyl)-
Drawipas
1H-Benzimidazole, 2-(4-thiazolyl)-

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)

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.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 201.254 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 201.036068224 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 14 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 3 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 1 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 3 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 41.57 Ų RDKit

Physical Properties

Property Value Source
LogP 2.6864 RDKit
molecular_mass 201.25 g/mol Legacy Database
cas-canonical-smile N1=CSC=C1C2=NC3=CC=CC=C3N2 None Legacy Database
cas-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) None Legacy Database
cas-inchi-key InChIKey=WJCNZQLZVWNLKY-UHFFFAOYSA-N None Legacy Database
cas-melting-point 304-305 °C None Legacy Database
cas-name Thiabendazole None Legacy Database

Molar

Property Value Source
Molar Refractivity 57.20170000000001 RDKit

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