CAS RN: 215675-51-7
1-CYCLOHEXYL-4,5-DIMETHYL-1H-IMIDAZOLE-2-THIOL
- Product code: SSC-103374
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
215675-51-7 / 3-cyclohexyl-4,5-dimethyl-1H-imidazole-2-thione
Basic Information
CAS
215675-51-7
Multi CAS
No
Molecular Formula
C11H18N2S
Molecular Weight
210.340000
Exact Mass
210.119070
SMILES
CC1=C(N(C(=S)N1)C2CCCCC2)C
InChI
InChI=1S/C11H18N2S/c1-8-9(2)13(11(14)12-8)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,12,14)
InChIKey
JKXZUQDKXIQSPK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.73
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.21
TPSA
20.72
LogP / Solubility
WLOGP
3.67
MLOGP
3.23
XLogP3
2.5
Consensus LogP
3.13
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly 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)
-1.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
(S)-3-AMINO-HEXAHYDRO-2-AZEPINONE
- CAS RN: 21568-87-6
- Product Code: starshine_CAS21568-87-6
- Purity/Analytical method: >99.0%
-
-
N,N’-bis[2-(4-chloro-phenyl)-ethyl]-3,4,9,10-perylene tetradicarboxiMide
- CAS RN: 215726-51-5
- Product Code: starshine_CAS215726-51-5
- Purity/Analytical method: >99.0%
-
N,N’-bis[2-(4-fluoro-phenyl)-ethyl]-3,4,9,10-perylene tetradicarboxiMide
- CAS RN: 215726-57-1
- Product Code: starshine_CAS215726-57-1
- Purity/Analytical method: >99.0%
-
-
2-amino-6-cyclopropylpyrimidin-4-ol
- CAS RN: 21573-08-0
- Product Code: starshine_CAS21573-08-0
- Purity/Analytical method: >99.0%
![CAS 215726-51-5 N,N’-bis[2-(4-chloro-phenyl)-ethyl]-3,4,9,10-perylene tetradicarboxiMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/215726-51-5.gif)
![CAS 215726-57-1 N,N’-bis[2-(4-fluoro-phenyl)-ethyl]-3,4,9,10-perylene tetradicarboxiMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/215726-57-1.gif)
