CAS RN: 1074-02-8
2-(METHYLSULFINYL)BENZENOL
Product Availability
Choose a grade to view its available package options.
5 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250125 | 100mg | Out of stock | Inquiry | ||
| Batchno.20251204 | 100mg / 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
| Batchno.20250210 | 1g | Out of stock | Inquiry | ||
| Batchno.20260317 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250808 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS1074-02-8
- Purity/Analytical Methods: >99.0%
1074-02-8 / 2-methylsulfinylphenol
2-(Methylsulfinyl)phenol | 2-(methylsulfinyl)benzenol | 2-methylsulfinylphenol
Basic Information
CAS
1074-02-8
Multi CAS
Yes
Molecular Formula
C7H8O2S
Molecular Weight
156.200000
Exact Mass
156.024501
SMILES
CS(=O)C1=CC=CC=C1O
InChI
InChI=1S/C7H8O2S/c1-10(9)7-5-3-2-4-6(7)8/h2-5,8H,1H3
InChIKey
VMTHIQRJDDCEQD-UHFFFAOYSA-N
Synonyms
2-(Methylsulfinyl)phenol
2-(methylsulfinyl)benzenol
2-methylsulfinylphenol
2-methanesulfinylphenol
MFCD00127350
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.44
TPSA
37.3
LogP / Solubility
WLOGP
1.13
MLOGP
0.99
XLogP3
1.2
Consensus LogP
1.11
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
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)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
