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CAS 1060802-18-7 5-chloropyridine-3-sulfonyl chloride molecular structure lightbox
CAS RN: 1060802-18-7

5-chloropyridine-3-sulfonyl chloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250112 50mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-007738
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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: 1g
  • 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 1060802-18-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1060802-18-7 / 5-chloropyridine-3-sulfonyl chloride

5-chloropyridine-3-sulfonyl chloride | DTXSID60712410 | RefChem:302679

Standard CAS: 1060802-18-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1060802-18-7
Multi CAS
No
Molecular Formula
C5H3Cl2NO2S
Molecular Weight
212.050000
Exact Mass
210.926155
SMILES
C1=C(C=NC=C1Cl)S(=O)(=O)Cl
InChI
InChI=1S/C5H3Cl2NO2S/c6-4-1-5(3-8-2-4)11(7,9)10/h1-3H
InChIKey
FQNDXOOGXYFWHZ-UHFFFAOYSA-N
Synonyms
5-chloropyridine-3-sulfonyl chloride DTXSID60712410 RefChem:302679 DTXCID20663156 821-855-3

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
42.29
TPSA
47.03

LogP / Solubility

WLOGP
1.66
MLOGP
1.46
XLogP3
1.5
Consensus LogP
1.54
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-2.83

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
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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