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CAS 16712-69-9 4-Ethylbenzenesulfonyl Chloride molecular structure lightbox
CAS RN: 16712-69-9

4-Ethylbenzenesulfonyl Chloride

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260202 100g In stock Inquiry
Batchno.20260501 1g In stock Inquiry
Batchno.20250730 25g In stock Inquiry
Batchno.20260701 5g In stock Inquiry
  • Product code: SSC-072908
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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: 5g
  • Available purity: tech. 94%
  • 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 16712-69-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g tech. 94% 0 Out of Stock Shenzhen Inquiry

16712-69-9 / 4-ethylbenzenesulfonyl chloride

Standard CAS: 16712-69-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16712-69-9
Multi CAS
No
Molecular Formula
C8H9ClO2S
Molecular Weight
204.670000
Exact Mass
204.001178
SMILES
CCC1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C8H9ClO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3
InChIKey
LACFLXDRFOQEFZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
48.86
TPSA
34.14

LogP / Solubility

WLOGP
2.18
MLOGP
1.92
XLogP3
2.8
Consensus LogP
2.3
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
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)
-2.42

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H290 (14.3%): May be corrosive to metals [Warning Corrosive to Metals] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H317 (14.3%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (14.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P234, P260, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P390, P405, P406, and P501

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