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CAS 60768-66-3 1,2-Benzisothiazole,5-nitro- molecular structure lightbox
CAS RN: 60768-66-3

1,2-Benzisothiazole,5-nitro-

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260305 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS60768-66-3
  • Purity/Analytical Methods: >99.0%
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60768-66-3 / 5-nitro-1,2-benzothiazole

Standard CAS: 60768-66-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
60768-66-3
Multi CAS
No
Molecular Formula
C7H4N2O2S
Molecular Weight
180.190000
Exact Mass
179.999349
InChI
InChI=1S/C7H4N2O2S/c10-9(11)6-1-2-7-5(3-6)4-8-12-7/h1-4H
InChIKey
AUYJMVMBVRSCMW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
46.27
TPSA
56.03

LogP / Solubility

WLOGP
2.2
MLOGP
1.94
XLogP3
2.2
Consensus LogP
2.11
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-2.25

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

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