![CAS 141400-58-0 2-[(1-Methylpropyl)dithio]-1H-imidazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/141400-58-0.gif)
CAS RN: 141400-58-0
2-[(1-Methylpropyl)dithio]-1H-imidazole
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250926 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250901 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251220 | 1g | Out of stock | Inquiry | |
| Batchno.20251101 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250415 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251108 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250421 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS141400-58-0
- Purity/Analytical Methods: >99.0%
141400-58-0 / 2-(butan-2-yldisulfanyl)-1H-imidazole
Basic Information
CAS
141400-58-0
Multi CAS
No
Molecular Formula
C7H12N2S2
Molecular Weight
188.300000
Exact Mass
188.044191
SMILES
CCC(C)SSC1=NC=CN1
InChI
InChI=1S/C7H12N2S2/c1-3-6(2)10-11-7-8-4-5-9-7/h4-6H,3H2,1-2H3,(H,8,9)
InChIKey
BPBPYQWMFCTCNG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.79
TPSA
28.68
LogP / Solubility
WLOGP
2.95
MLOGP
2.59
XLogP3
2.3
Consensus LogP
2.61
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-1.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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