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CAS 99389-26-1 Benzenethiol, 3,5-difluoro- (9CI) molecular structure lightbox
CAS RN: 99389-26-1

Benzenethiol, 3,5-difluoro- (9CI)

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260614 100g In stock Shanghai Inquiry
Batchno.20250831 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260527 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20250304 25g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250816 500g In stock Shanghai Inquiry
Batchno.20251107 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: starshine_CAS99389-26-1
  • Purity/Analytical Methods: >99.0%
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99389-26-1 / 3,5-difluorobenzenethiol

Standard CAS: 99389-26-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99389-26-1
Multi CAS
Yes
Molecular Formula
C6F2H4S
Molecular Weight
146.160000
Exact Mass
146.000178
InChI
InChI=1S/C6H4F2S/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChIKey
LFYVNHDFVIPZHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.61
TPSA
1.0000

LogP / Solubility

WLOGP
2.25
MLOGP
1.98
XLogP3
2.3
Consensus LogP
2.18
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01

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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