[email protected]
CAS 252873-55-5 2-Aminobenzo[d]thiazole-6-sulfonyl chloride molecular structure lightbox
CAS RN: 252873-55-5

2-Aminobenzo[d]thiazole-6-sulfonyl chloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250418 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS252873-55-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

252873-55-5 / 2-amino-1,3-benzothiazole-6-sulfonyl chloride

Standard CAS: 252873-55-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
252873-55-5
Multi CAS
No
Molecular Formula
C7H5ClN2O2S2
Molecular Weight
248.700000
Exact Mass
247.948097
SMILES
C1=CC2=C(C=C1S(=O)(=O)Cl)SC(=N2)N
InChI
InChI=1S/C7H5ClN2O2S2/c8-14(11,12)4-1-2-5-6(3-4)13-7(9)10-5/h1-3H,(H2,9,10)
InChIKey
TZUVGYNZHMPZHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
57.07
TPSA
73.05

LogP / Solubility

WLOGP
1.81
MLOGP
1.6
XLogP3
2.1
Consensus LogP
1.84
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us