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CAS 17249-76-2 3,4-Dichlorothiophene molecular structure lightbox
CAS RN: 17249-76-2

3,4-Dichlorothiophene

  • Product code: SSC-075820
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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, 0.1g, 0.25g
  • 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 17249-76-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry

17249-76-2 / 3,4-dichlorothiophene

Standard CAS: 17249-76-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17249-76-2
Multi CAS
No
Molecular Formula
C4H2Cl2S
Molecular Weight
153.030000
Exact Mass
151.925427
SMILES
C1=C(C(=CS1)Cl)Cl
InChI
InChI=1S/C4H2Cl2S/c5-3-1-7-2-4(3)6/h1-2H
InChIKey
QVFXSOFIEKYPOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
H-bond acceptors
1
Molar refractivity
34.34
TPSA
28.2000

LogP / Solubility

WLOGP
3.05
MLOGP
2.68
XLogP3
2.9
Consensus LogP
2.88
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
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)
-1.48

Drug-likeness / Medicinal Chemistry

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

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