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CAS 1126-81-4 4-Acetamidothiophenol molecular structure lightbox
CAS RN: 1126-81-4

4-Acetamidothiophenol

Product Availability

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250417 100g In stock Inquiry
Batchno.20260118 1g In stock Inquiry
Batchno.20250519 25g In stock Inquiry
Batchno.20250310 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250904 1g In stock Shanghai, Chongqing, Hebei Inquiry
Batchno.20260413 25g In stock Shanghai Inquiry
Batchno.20250718 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-012959
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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: ≥95%
  • 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 1126-81-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

1126-81-4 / N-(4-sulfanylphenyl)acetamide

4-Acetamidothiophenol | 4'-Mercaptoacetanilide | 4-Mercaptoacetanilide

Standard CAS: 1126-81-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1126-81-4
Multi CAS
Yes
Molecular Formula
C8H9NOS
Molecular Weight
167.230000
Exact Mass
167.040485
SMILES
CC(=O)NC1=CC=C(C=C1)S
InChI
InChI=1S/C8H9NOS/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
InChIKey
AYEQJLOHMLYKAV-UHFFFAOYSA-N
Synonyms
4-Acetamidothiophenol 4'-Mercaptoacetanilide 4-Mercaptoacetanilide EINECS 214-427-7 DTXSID60150116

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48
TPSA
29.1

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
1.7
Consensus LogP
1.78
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-2.37

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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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