CAS RN: 1030613-07-0
Ethyl5-bromo-1,3,4-thiadiazole-2-carboxylate
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260319 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250930 | 10g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250906 | 1g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250215 | 250mg | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20250114 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20251224 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
- Product code: starshine_CAS1030613-07-0
- Purity/Analytical Methods: >99.0%
1030613-07-0 / ethyl 5-bromo-1,3,4-thiadiazole-2-carboxylate
Ethyl5-bromo-1,3,4-thiadiazole-2-carboxylate | RefChem:596549 | 847-445-4
Basic Information
CAS
1030613-07-0
Multi CAS
No
Molecular Formula
C5H5BrN2O2S
Molecular Weight
237.080000
Exact Mass
235.925510
SMILES
CCOC(=O)C1=NN=C(S1)Br
InChI
InChI=1S/C5H5BrN2O2S/c1-2-10-4(9)3-7-8-5(6)11-3/h2H2,1H3
InChIKey
KDZLTNORBKZJKE-UHFFFAOYSA-N
Synonyms
Ethyl5-bromo-1,3,4-thiadiazole-2-carboxylate
RefChem:596549
847-445-4
Ethyl 5-bromo-1,3,4-thiadiazole-2-carboxylate
MFCD12165919
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
43.57
TPSA
52.08
LogP / Solubility
WLOGP
1.48
MLOGP
1.3
XLogP3
1.9
Consensus LogP
1.56
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-3.12
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 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (50%): 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
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