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CAS 1881291-16-2 5-Bromo-6-fluorobenzo[d]thiazole-2-thiol molecular structure lightbox
CAS RN: 1881291-16-2

5-Bromo-6-fluorobenzo[d]thiazole-2-thiol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250228 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1881291-16-2
  • Purity/Analytical Methods: >99.0%
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1881291-16-2 / 5-bromo-6-fluoro-3H-1,3-benzothiazole-2-thione

Standard CAS: 1881291-16-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1881291-16-2
Multi CAS
No
Molecular Formula
C7H3BrFNS2
Molecular Weight
264.100000
Exact Mass
262.887430
SMILES
C1=C2C(=CC(=C1Br)F)SC(=S)N2
InChI
InChI=1S/C7H3BrFNS2/c8-3-1-5-6(2-4(3)9)12-7(11)10-5/h1-2H,(H,10,11)
InChIKey
XQWSRBBILXYNNM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.67
TPSA
15.79

LogP / Solubility

WLOGP
3.86
MLOGP
3.4
XLogP3
3.1
Consensus LogP
3.45
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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