![CAS 158962-92-6 2,3-Dihydrothieno[3,4-b][1,4]dithiine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/158962-92-6.png)
CAS RN: 158962-92-6
2,3-Dihydrothieno[3,4-b][1,4]dithiine
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260102 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251202 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Hebei | Inquiry |
| Batchno.20260327 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20260627 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250216 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251012 | 5g | In stock | Shanghai | Inquiry |
- Product code: LIND896749
158962-92-6 / 2,3-dihydrothieno[3,4-b][1,4]dithiine
Basic Information
CAS
158962-92-6
Multi CAS
No
Molecular Formula
C6H6S3
Molecular Weight
174.300000
Exact Mass
173.963164
SMILES
C1CSC2=CSC=C2S1
InChI
InChI=1S/C6H6S3/c1-2-9-6-4-7-3-5(6)8-1/h3-4H,1-2H2
InChIKey
HPGNGICCHXRMIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.33
H-bond acceptors
3
Molar refractivity
45.77
TPSA
78.8000
LogP / Solubility
WLOGP
2.95
MLOGP
2.59
XLogP3
2.4
Consensus LogP
2.65
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly 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)
-1.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
