CAS No.: 65899-73-2 — Tioconazole (噻康唑)

1. Primary Information

English name:	Tioconazole
CAS No.:	65899-73-2
Molecular formula:	C₁₆H₁₃Cl₃N₂OS
Molecular weight:	387.7 g/mol
SMILES:	C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCC3=C(SC=C3)Cl
Structural class:
Other identifiers:	Gyno-Trosyd Monistat 1-Day Mykontral tioconazole Trosderm

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	160	RT	in stock	-
Kehua Intelligence	250mg	99%	56	RT	in stock	-
Kehua Intelligence	1g	99%	136	RT	in stock	-
Kehua Intelligence	5g	99%	480	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 36 38 0 1 0 0 0 0 0999 V2000 -1.7343 -1.4552 -2.6992 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.8775 -0.3380 0.5497 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9307 3.3780 1.2951 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5762 4.7242 0.4698 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6907 0.1654 0.0616 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0651 -2.3552 0.5330 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9356 -3.1982 -0.2785 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0335 -1.0815 -0.2021 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6364 -2.1475 0.7355 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4423 -0.9030 -0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2556 1.1701 -0.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3153 -1.0532 -1.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9408 -0.5783 1.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0618 -1.6884 1.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9696 2.4517 -0.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6228 -3.2493 -0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6869 -0.8785 -0.9402 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3123 -0.4037 1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1854 -0.5537 0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2158 -2.2275 0.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2039 2.8046 -1.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5069 3.3915 0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6518 4.0259 -0.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3235 -1.3747 -1.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5233 -1.8687 1.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1436 -3.1171 0.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8216 1.3553 -0.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 0.8702 -1.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2798 -0.4424 2.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8837 -0.9175 1.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0392 -3.9068 -0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3694 -0.9951 -1.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6862 -0.1473 2.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2340 -1.9653 0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7455 2.2058 -1.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5594 4.5414 -0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 19 1 0 0 0 0 3 22 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 7 16 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 15 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 13 29 1 0 0 0 0 14 20 2 0 0 0 0 14 30 1 0 0 0 0 15 21 1 0 0 0 0 15 22 2 0 0 0 0 16 31 1 0 0 0 0 17 19 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 23 36 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole

4.2 InChI

InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)