CAS RN: 688762-79-0
2,4-DIFLUOROPHENYLTHIOETHANOL
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.20250112 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS688762-79-0
- Purity/Analytical Methods: >99.0%
688762-79-0 / 2-(2,4-difluorophenyl)sulfanylethanol
Basic Information
CAS
688762-79-0
Multi CAS
No
Molecular Formula
C8F2H8OS
Molecular Weight
190.210000
Exact Mass
190.026392
InChI
InChI=1S/C8H8F2OS/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5,11H,3-4H2
InChIKey
UVBHERCKIXORRQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.17
TPSA
20.23
LogP / Solubility
WLOGP
2.05
MLOGP
1.8
XLogP3
2.3
Consensus LogP
2.05
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
2-BROMO-4-TRIFLUOROMETHYLPHENYLISOTHIOCYANATE
- CAS RN: 688763-22-6
- Product Code: SSC-178540
-
2-CHLORO-6-(TRIFLUOROMETHYL)PHENYLISOTHIOCYANATE
- CAS RN: 688763-26-0
- Product Code: SSC-178541
-
GSK-656933)
- CAS RN: 688763-64-6
- Product Code: starshine_CAS688763-64-6
- Purity/Analytical method: >99.0%
-
Benzyl (1-(Methoxy(Methyl)Amino)-1-Oxopropan-2-Yl)Carbamate
- CAS RN: 688763-83-9
- Product Code: SSC-178542
-
1H-Pyrrolo[2,3-b]pyridine, 6-chloro-4-nitro-
- CAS RN: 688781-87-5
- Product Code: starshine_CAS688781-87-5
- Purity/Analytical method: >99.0%
-
![CAS 688781-87-5 1H-Pyrrolo[2,3-b]pyridine, 6-chloro-4-nitro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/688781-87-5.gif)
![CAS 688782-02-7 4-Chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/688782-02-7.gif)