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CAS 1122-41-4 2,4-Dichlorobenzenethiol molecular structure lightbox
CAS RN: 1122-41-4

2,4-Dichlorobenzenethiol

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251005 100g In stock Inquiry
Batchno.20251111 1g In stock Inquiry
Batchno.20260421 25g In stock Inquiry
Batchno.20260307 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260223 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251208 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260326 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260110 500g Out of stock Inquiry
Batchno.20260330 5g In stock Chengdu Inquiry
  • Product code: SSC-012660
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1122-41-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry

1122-41-4 / 2,4-dichlorobenzenethiol

2,4-Dichlorobenzenethiol | EINECS 214-346-7 | DTXSID20149945

Standard CAS: 1122-41-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1122-41-4
Multi CAS
Yes
Molecular Formula
C6H4Cl2S
Molecular Weight
179.070000
Exact Mass
177.941077
SMILES
C1=CC(=C(C=C1Cl)Cl)S
InChI
InChI=1S/C6H4Cl2S/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKey
FGBVJFREPSJSNG-UHFFFAOYSA-N
Synonyms
2,4-Dichlorobenzenethiol EINECS 214-346-7 DTXSID20149945 RefChem:443451 DTXCID5072436

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.71
TPSA
1.0000

LogP / Solubility

WLOGP
3.28
MLOGP
2.89
XLogP3
3.5
Consensus LogP
3.22
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (13%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (13%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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