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CAS 782-22-9 2,7-Difluorothianthrene molecular structure lightbox
CAS RN: 782-22-9

2,7-Difluorothianthrene

  • Product code: SSC-187677
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.1g, 0.25g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 782-22-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry
0.1g >95% 3 In Stock Shenzhen Inquiry
0.25g >95% 3 In Stock Beijing Inquiry
10g >95% 3 In Stock Shanghai Inquiry

782-22-9 / 2,7-difluorothianthrene

Standard CAS: 782-22-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
782-22-9
Multi CAS
No
Molecular Formula
C12F2H6S2
Molecular Weight
252.300000
Exact Mass
251.987899
InChI
InChI=1S/C12H6F2S2/c13-7-1-3-9-11(5-7)16-10-4-2-8(14)6-12(10)15-9/h1-6H
InChIKey
YBBNQJIXQSDKSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
H-bond acceptors
2
Molar refractivity
61.05
TPSA
50.6000

LogP / Solubility

WLOGP
4.58
MLOGP
4.04
XLogP3
4.3
Consensus LogP
4.31
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
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)
-1.01

Drug-likeness / Medicinal Chemistry

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

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