CAS RN: 2127875-65-2
S-(1-Hydroxy-2-methylpropan-2-yl) methanesulfonothioate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250908 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2127875-65-2
- Purity/Analytical Methods: >99.0%
2127875-65-2 / 2-methyl-2-methylsulfonylsulfanylpropan-1-ol
Basic Information
CAS
2127875-65-2
Multi CAS
No
Molecular Formula
C5H12O3S2
Molecular Weight
184.300000
Exact Mass
184.022787
SMILES
CC(C)(CO)SS(=O)(=O)C
InChI
InChI=1S/C5H12O3S2/c1-5(2,4-6)9-10(3,7)8/h6H,4H2,1-3H3
InChIKey
DRRLIMMXMOWDCA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.6
TPSA
54.37
LogP / Solubility
WLOGP
0.45
MLOGP
0.39
Consensus LogP
0.28
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
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)
-3.52
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
1.5
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