CAS RN: 23528-44-1
1,2-Bis(phenylthio)ethylene (cis- and trans- mixture)
- Product code: SSC-113843
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: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
23528-44-1 / 2-phenylsulfanylethenylsulfanylbenzene
Basic Information
CAS
23528-44-1
Multi CAS
No
Molecular Formula
C14H12S2
Molecular Weight
244.400000
Exact Mass
244.038043
SMILES
C1=CC=C(C=C1)SC=CSC2=CC=CC=C2
InChI
InChI=1S/C14H12S2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-12H
InChIKey
UHGSEDVQATYWGI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
73.74
TPSA
50.6000
LogP / Solubility
WLOGP
5.04
MLOGP
4.44
XLogP3
4.6
Consensus LogP
4.69
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.91
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)
-0.63
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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- Purity/Analytical method: >98.0%(T)(HPLC)
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