![CAS 1175277-80-1 2-Chloro-7-methoxybenzo[d]thiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1175277-80-1.png)
CAS RN: 1175277-80-1
2-Chloro-7-methoxybenzo[d]thiazole
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.20260506 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: LINC894353
1175277-80-1 / 2-chloro-7-methoxy-1,3-benzothiazole
2-chloro-7-methoxy-1,3-benzothiazole | RefChem:469745 | 899-771-1
Basic Information
CAS
1175277-80-1
Multi CAS
No
Molecular Formula
C8H6ClNOS
Molecular Weight
199.660000
Exact Mass
198.985863
SMILES
COC1=CC=CC2=C1SC(=N2)Cl
InChI
InChI=1S/C8H6ClNOS/c1-11-6-4-2-3-5-7(6)12-8(9)10-5/h2-4H,1H3
InChIKey
VXJOAPOPPBDFGR-UHFFFAOYSA-N
Synonyms
2-chloro-7-methoxy-1,3-benzothiazole
RefChem:469745
899-771-1
2-Chloro-7-methoxybenzo[d]thiazole
2-Chloro-7-methoxybenzothiazole
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
51.18
TPSA
22.12
LogP / Solubility
WLOGP
2.96
MLOGP
2.6
XLogP3
3.3
Consensus LogP
2.95
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly 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)
-1.84
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
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