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CAS 60706-63-0 2,3,5,6-TETRAMETHYLBENZENESULFONYL CHLORIDE molecular structure lightbox
CAS RN: 60706-63-0

2,3,5,6-TETRAMETHYLBENZENESULFONYL CHLORIDE

  • Product code: SSC-169356
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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 60706-63-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

60706-63-0 / 2,3,5,6-tetramethylbenzenesulfonyl chloride

Standard CAS: 60706-63-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
60706-63-0
Multi CAS
No
Molecular Formula
C10H13CLO2S
Molecular Weight
232.730000
Exact Mass
232.032479
InChI
InChI=1S/C10H13ClO2S/c1-6-5-7(2)9(4)10(8(6)3)14(11,12)13/h5H,1-4H3
InChIKey
ZCXRROBIIMQMHR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
58.43
TPSA
34.14

LogP / Solubility

WLOGP
2.85
MLOGP
2.51
XLogP3
3.4
Consensus LogP
2.92
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-2.12

Drug-likeness / Medicinal Chemistry

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

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