Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: ≥97%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥97% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | ≥97% | 1 In Stock | Hong Kong | Inquiry |
| 1g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
| 5g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
| 10g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
37859-42-0 / 1,3-benzothiazol-2-ylmethanol
Basic Information
CAS
37859-42-0
Multi CAS
Yes
Molecular Formula
C8H7NOS
Molecular Weight
165.210000
Exact Mass
165.024835
InChI
InChI=1S/C8H7NOS/c10-5-8-9-6-3-1-2-4-7(6)11-8/h1-4,10H,5H2
InChIKey
PQXMQZYDBQBWNL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.54
TPSA
33.12
LogP / Solubility
WLOGP
1.79
MLOGP
1.57
XLogP3
1.7
Consensus LogP
1.69
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 37882-75-0 Thieno[3,2-b]thiophene-2,5-dicarboxaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/37882-75-0.gif)