CAS RN: 105315-39-7
2,4-Dichloro-5-Methylthiazole
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260208 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS105315-39-7
- Purity/Analytical Methods: >99.0%
105315-39-7 / 2,4-dichloro-5-methyl-1,3-thiazole
2,4-Dichloro-5-methyl-1,3-thiazole | DTXSID70546389 | RefChem:246241
Basic Information
CAS
105315-39-7
Multi CAS
No
Molecular Formula
C4H3Cl2NS
Molecular Weight
168.040000
Exact Mass
166.936326
SMILES
CC1=C(N=C(S1)Cl)Cl
InChI
InChI=1S/C4H3Cl2NS/c1-2-3(5)7-4(6)8-2/h1H3
InChIKey
MBSOPCRNBFTLRD-UHFFFAOYSA-N
Synonyms
2,4-Dichloro-5-methyl-1,3-thiazole
DTXSID70546389
RefChem:246241
DTXCID00497173
2,4-Dichloro-5-methylthiazole
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
36.87
TPSA
12.89
LogP / Solubility
WLOGP
2.76
MLOGP
2.42
XLogP3
3.3
Consensus LogP
2.83
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly 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)
-1.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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