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CAS 19602-82-5 2,2′-dithiodibenzoyl chloride molecular structure lightbox
CAS RN: 19602-82-5

2,2′-dithiodibenzoyl chloride

  • Product code: SSC-092641
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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 19602-82-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

19602-82-5 / 2-[(2-carbonochloridoylphenyl)disulfanyl]benzoyl chloride

Standard CAS: 19602-82-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19602-82-5
Multi CAS
No
Molecular Formula
C14H8Cl2O2S2
Molecular Weight
343.200000
Exact Mass
341.934277
SMILES
C1=CC=C(C(=C1)C(=O)Cl)SSC2=CC=CC=C2C(=O)Cl
InChI
InChI=1S/C14H8Cl2O2S2/c15-13(17)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(16)18/h1-8H
InChIKey
DSFZYLCRXIWFFW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
84.97
TPSA
34.14

LogP / Solubility

WLOGP
5.24
MLOGP
4.63
XLogP3
5
Consensus LogP
4.96
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.84
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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