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CAS 17527-79-6 BIS(4-MERCAPTOPHENYL) ETHER molecular structure lightbox
CAS RN: 17527-79-6

BIS(4-MERCAPTOPHENYL) ETHER

  • Product code: SSC-076896
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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: 0.25g, 1g, 5g, 10g
  • 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 17527-79-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Beijing Inquiry
10g >97% 0 Out of Stock Beijing Inquiry

17527-79-6 / 4-(4-sulfanylphenoxy)benzenethiol

Standard CAS: 17527-79-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17527-79-6
Multi CAS
No
Molecular Formula
C12H10OS2
Molecular Weight
234.300000
Exact Mass
234.017307
SMILES
C1=CC(=CC=C1OC2=CC=C(C=C2)S)S
InChI
InChI=1S/C12H10OS2/c14-11-5-1-9(2-6-11)13-10-3-7-12(15)8-4-10/h1-8,14-15H
InChIKey
WREGWRFRXHKFGE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
67.46
TPSA
9.23

LogP / Solubility

WLOGP
4.06
MLOGP
3.57
XLogP3
3
Consensus LogP
3.54
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.27

Drug-likeness / Medicinal Chemistry

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

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