CAS RN: 17796-82-6
N-(Cyclohexylthio)phthalimide
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-077845
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: 100g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 100g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
17796-82-6 / 2-cyclohexylsulfanylisoindole-1,3-dione
Basic Information
CAS
17796-82-6
Multi CAS
No
Molecular Formula
C14H15NO2S
Molecular Weight
261.340000
Exact Mass
261.082350
SMILES
C1CCC(CC1)SN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C14H15NO2S/c16-13-11-8-4-5-9-12(11)14(17)15(13)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
InChIKey
UEZWYKZHXASYJN-UHFFFAOYSA-N
Physical Properties
Melting Point
92.6 °C
Boiling Point
196 °C at 760 mm Hg (decomposes)
Density
1.33 g/mL at 25 °C
Physical Description
Dry Powder, Pellets or Large Crystals; Other Solid; Dry Powder; Water or Solvent Wet Solid, Other Solid
Off-white solid; [HSDB] Light tan to white powder
Appearance
Off-white solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
71.41
TPSA
37.38
LogP / Solubility
WLOGP
3.26
MLOGP
2.88
XLogP3
2.7
Consensus LogP
2.95
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.31
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Health Hazard
Signal
Warning
GHS Hazard Statements
H317 (96.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H400 (71.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (94.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501
P260, P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P319, P321, P333+P317, P337+P317, P362+P364, and P501
