CAS RN: 117724-63-7
2-Methyl-4-(trifluoromethyl)thiazole-5-carboxylic Acid
Product Availability
Choose a grade to view its available package options.
10 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250808 | 100g | In stock | Shanghai | Inquiry | |
| Batchno.20260114 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry | |
| Batchno.20250426 | 250mg | In stock | Shanghai, Shenzhen, Chengdu | Inquiry | |
| Batchno.20260423 | 25g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250114 | 500g | In stock | Shanghai | Inquiry | |
| Batchno.20260521 | 5g | In stock | Shanghai, Chengdu | Inquiry |
- Product code: SSC-017553
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 100g
- Available purity: >97%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 10g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 100g | >97% | 0 Out of Stock | Beijing | Inquiry |
117724-63-7 / 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic Acid | DTXSID20363346 | RefChem:475558
Basic Information
CAS
117724-63-7
Multi CAS
No
Molecular Formula
C6H4F3NO2S
Molecular Weight
211.160000
Exact Mass
210.991484
SMILES
CC1=NC(=C(S1)C(=O)O)C(F)(F)F
InChI
InChI=1S/C6H4F3NO2S/c1-2-10-4(6(7,8)9)3(13-2)5(11)12/h1H3,(H,11,12)
InChIKey
REKJPVUFKQYMHW-UHFFFAOYSA-N
Synonyms
2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic Acid
DTXSID20363346
RefChem:475558
DTXCID20314393
809-864-0
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.81
TPSA
50.19
LogP / Solubility
WLOGP
2.17
MLOGP
1.91
XLogP3
2.1
Consensus LogP
2.06
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
