![CAS 1194-57-6 Benzo[c]thiophen-1(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1194-57-6.gif)
CAS RN: 1194-57-6
Benzo[c]thiophen-1(3H)-one
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.20260107 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1194-57-6
- Purity/Analytical Methods: >99.0%
1194-57-6 / 3H-2-benzothiophen-1-one
Benzo[c]thiophen-1(3H)-one | 3H-2-benzothiophen-1-one | 2-benzothiophen-1(3H)-one
Basic Information
CAS
1194-57-6
Multi CAS
No
Molecular Formula
C8H6OS
Molecular Weight
150.200000
Exact Mass
150.013936
SMILES
C1C2=CC=CC=C2C(=O)S1
InChI
InChI=1S/C8H6OS/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2
InChIKey
NSSBUSDEHNCUIY-UHFFFAOYSA-N
Synonyms
Benzo[c]thiophen-1(3H)-one
3H-2-benzothiophen-1-one
2-benzothiophen-1(3H)-one
1,3-dihydro-2-benzothiophen-1-one
MFCD00232245
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
42.07
TPSA
17.07
LogP / Solubility
WLOGP
2.07
MLOGP
1.82
XLogP3
1.9
Consensus LogP
1.93
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
