[email protected]
CAS 17821-93-1 5,6-Dichlorobenzo[c][1,2,5]thiadiazole molecular structure lightbox
CAS RN: 17821-93-1

5,6-Dichlorobenzo[c][1,2,5]thiadiazole

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260617 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS17821-93-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

17821-93-1 / 5,6-dichloro-2,1,3-benzothiadiazole

Standard CAS: 17821-93-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17821-93-1
Multi CAS
No
Molecular Formula
C6H2Cl2N2S
Molecular Weight
205.060000
Exact Mass
203.931575
SMILES
C1=C(C(=CC2=NSN=C21)Cl)Cl
InChI
InChI=1S/C6H2Cl2N2S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H
InChIKey
FANYVGCAISPJSX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
47.44
TPSA
25.78

LogP / Solubility

WLOGP
3
MLOGP
2.64
XLogP3
3
Consensus LogP
2.88
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
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
Yes
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

Customers Also Viewed

Get In Touch

Contact Us