CAS RN: 38447-82-4
4-Methyltetrahydro-2H-thiopyran-4-ol
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: starshine_CAS38447-82-4
- Purity/Analytical Methods: >99.0%
38447-82-4 / 4-methylthian-4-ol
Basic Information
CAS
38447-82-4
Multi CAS
No
Molecular Formula
C6H12OS
Molecular Weight
132.230000
Exact Mass
132.060886
InChI
InChI=1S/C6H12OS/c1-6(7)2-4-8-5-3-6/h7H,2-5H2,1H3
InChIKey
RYZAMMMGBAOMMC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.18
TPSA
20.23
LogP / Solubility
WLOGP
1.26
MLOGP
1.1
XLogP3
0.9
Consensus LogP
1.09
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
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)
-2.63
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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![CAS 38458-58-1 (E)-4-Hydroxy-2-hydroxymethyl-2-butenoic acid (3aR,4R,6E,9S,10Z,11aR)-9-acetoxy-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/38458-58-1.gif)
