CAS RN: 205311-54-2
2-Methyl-3H-imidazole-4-sulfonyl chloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250828 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS205311-54-2
- Purity/Analytical Methods: >99.0%
205311-54-2 / 2-methyl-1H-imidazole-5-sulfonyl chloride
Basic Information
CAS
205311-54-2
Multi CAS
No
Molecular Formula
C4H5ClN2O2S
Molecular Weight
180.610000
Exact Mass
179.976026
SMILES
CC1=NC=C(N1)S(=O)(=O)Cl
InChI
InChI=1S/C4H5ClN2O2S/c1-3-6-2-4(7-3)10(5,8)9/h2H,1H3,(H,6,7)
InChIKey
QZSIDBSNCFPOCI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.36
TPSA
62.82
LogP / Solubility
WLOGP
0.65
MLOGP
0.57
XLogP3
0.8
Consensus LogP
0.67
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
Class (SILICOS-IT)
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)
-3.36
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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