CAS RN: 2274-42-2
Methylsulfonylacetonitrile
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250403 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-110845
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 5g | ≥98% | 2 In Stock | Shanghai | Inquiry |
| 10g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
2274-42-2 / 2-methylsulfonylacetonitrile
Basic Information
CAS
2274-42-2
Multi CAS
No
Molecular Formula
C3H5NO2S
Molecular Weight
119.140000
Exact Mass
119.004100
SMILES
CS(=O)(=O)CC#N
InChI
InChI=1S/C3H5NO2S/c1-7(5,6)3-2-4/h3H2,1H3
InChIKey
FOTRKCAZUSJCQD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
25.32
TPSA
57.93
LogP / Solubility
WLOGP
-0.45
MLOGP
-0.4
XLogP3
-1.4
Consensus LogP
-0.75
Log S (ESOL)
-0.23
Class (ESOL)
Very soluble
Log S (Ali)
-0.22
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.18
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-3.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
