![CAS 1188047-21-3 7-Fluorobenzo[d]thiazol-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1188047-21-3.gif)
CAS RN: 1188047-21-3
7-Fluorobenzo[d]thiazol-2(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.20260611 | 50mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1188047-21-3
- Purity/Analytical Methods: >99.0%
1188047-21-3 / 7-fluoro-3H-1,3-benzothiazol-2-one
7-fluoro-2,3-dihydro-1,3-benzothiazol-2-one | RefChem:546410 | 825-629-5
Basic Information
CAS
1188047-21-3
Multi CAS
No
Molecular Formula
C7H4FNOS
Molecular Weight
169.180000
Exact Mass
168.999763
SMILES
C1=CC2=C(C(=C1)F)SC(=O)N2
InChI
InChI=1S/C7H4FNOS/c8-4-2-1-3-5-6(4)11-7(10)9-5/h1-3H,(H,9,10)
InChIKey
PWXFHXZRMDTSHE-UHFFFAOYSA-N
Synonyms
7-fluoro-2,3-dihydro-1,3-benzothiazol-2-one
RefChem:546410
825-629-5
7-Fluorobenzo[d]thiazol-2(3H)-one
7-Fluorobenzo[d]thiazol-2-ol
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.4
TPSA
32.86
LogP / Solubility
WLOGP
1.73
MLOGP
1.52
XLogP3
1.8
Consensus LogP
1.68
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-2.52
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]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
