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CAS 7205-62-1 Benzene, 1-chloro-4-[(1-methylethyl)thio]- molecular structure lightbox
CAS RN: 7205-62-1

Benzene, 1-chloro-4-[(1-methylethyl)thio]-

  • Product code: SSC-181579
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 7205-62-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 2 In Stock Beijing Inquiry
0.25g ≥97% 2 In Stock Hong Kong Inquiry
1g ≥97% 2 In Stock Beijing Inquiry

7205-62-1 / 1-chloro-4-propan-2-ylsulfanylbenzene

Standard CAS: 7205-62-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7205-62-1
Multi CAS
No
Molecular Formula
C9H11CLS
Molecular Weight
186.700000
Exact Mass
186.026999
InChI
InChI=1S/C9H11ClS/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7H,1-2H3
InChIKey
ZWKPKISWPZWKLB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
52.45
TPSA
25.3000

LogP / Solubility

WLOGP
3.84
MLOGP
3.38
XLogP3
3.9
Consensus LogP
3.71
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.13

Drug-likeness / Medicinal Chemistry

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

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