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CAS 28225-88-9 2,4-dichloro-5-methylthiophenol molecular structure lightbox
CAS RN: 28225-88-9

2,4-dichloro-5-methylthiophenol

  • Product code: SSC-129060
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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: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 28225-88-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Beijing Inquiry

28225-88-9 / 2,4-dichloro-5-methylbenzenethiol

Standard CAS: 28225-88-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28225-88-9
Multi CAS
Yes
Molecular Formula
C7H6CL2S
Molecular Weight
193.090000
Exact Mass
191.956727
InChI
InChI=1S/C7H6Cl2S/c1-4-2-7(10)6(9)3-5(4)8/h2-3,10H,1H3
InChIKey
SHBIPXMJAAVLGL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.45
TPSA
1.0000

LogP / Solubility

WLOGP
3.59
MLOGP
3.16
XLogP3
3.7
Consensus LogP
3.48
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly 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)
-1.35

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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