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CAS 1211520-62-5 3-(Pentafluorosulfur)benzenesulfonyl chloride molecular structure lightbox
CAS RN: 1211520-62-5

3-(Pentafluorosulfur)benzenesulfonyl chloride

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250822 100mg In stock Shanghai Inquiry
Batchno.20251201 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20260320 1g In stock Shanghai Inquiry
Batchno.20260619 250mg In stock Shanghai Inquiry
Batchno.20250404 5g In stock Shanghai Inquiry
  • Product code: SSC-022576
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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: 0.25g
  • 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 1211520-62-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1211520-62-5 / 3-(pentafluoro-lambda6-sulfanyl)benzenesulfonyl chloride

3-(Pentafluoro-lambda6-sulfanyl)benzene-1-sulfonyl chloride | RefChem:495800 | 821-223-7

Standard CAS: 1211520-62-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1211520-62-5
Multi CAS
No
Molecular Formula
C6H4ClF5O2S2
Molecular Weight
302.700000
Exact Mass
301.926140
SMILES
C1=CC(=CC(=C1)S(F)(F)(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C6H4ClF5O2S2/c7-15(13,14)5-2-1-3-6(4-5)16(8,9,10,11)12/h1-4H
InChIKey
NNEKBNJEZZMVHF-UHFFFAOYSA-N
Synonyms
3-(Pentafluoro-lambda6-sulfanyl)benzene-1-sulfonyl chloride RefChem:495800 821-223-7 3-(Pentafluorosulfur)benzenesulfonyl chloride 3-(pentafluoro-lambda6-sulfanyl)benzenesulfonyl chloride

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
50.88
TPSA
34.14

LogP / Solubility

WLOGP
4.27
MLOGP
3.77
XLogP3
5.2
Consensus LogP
4.41
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53

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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