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CAS 7205-90-5 CHLOROMETHYL 4-CHLOROPHENYL SULFIDE molecular structure lightbox
CAS RN: 7205-90-5

CHLOROMETHYL 4-CHLOROPHENYL SULFIDE

  • Product code: SSC-181581
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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: ≥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 7205-90-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

7205-90-5 / 1-chloro-4-(chloromethylsulfanyl)benzene

Standard CAS: 7205-90-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7205-90-5
Multi CAS
No
Molecular Formula
C7H6CL2S
Molecular Weight
193.090000
Exact Mass
191.956727
InChI
InChI=1S/C7H6Cl2S/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,5H2
InChIKey
XPJUCMIJGVAEGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
48.03
TPSA
25.3000

LogP / Solubility

WLOGP
3.63
MLOGP
3.19
XLogP3
3.7
Consensus LogP
3.51
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly 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)
-1.32

Drug-likeness / Medicinal Chemistry

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

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