CAS RN: 14947-48-9
2-(1,3-Dithian-2-yl)ethanol
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260615 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250311 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250718 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250512 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250412 | 5g | In stock | Shanghai | Inquiry |
- Product code: LIND899840
14947-48-9 / 2-(1,3-dithian-2-yl)ethanol
Basic Information
CAS
14947-48-9
Multi CAS
No
Molecular Formula
C6H12OS2
Molecular Weight
164.300000
Exact Mass
164.032957
SMILES
C1CSC(SC1)CCO
InChI
InChI=1S/C6H12OS2/c7-3-2-6-8-4-1-5-9-6/h6-7H,1-5H2
InChIKey
YBACVTHKZMQAJF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.02
TPSA
20.23
LogP / Solubility
WLOGP
1.56
MLOGP
1.37
XLogP3
1.5
Consensus LogP
1.48
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
Class (SILICOS-IT)
Moderately 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)
-2.61
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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