CAS RN: 174706-21-9
p-Terphenyl-4,4′′-dithiol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250514 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS174706-21-9
- Purity/Analytical Methods: >99.0%
174706-21-9 / 4-[4-(4-sulfanylphenyl)phenyl]benzenethiol
Basic Information
CAS
174706-21-9
Multi CAS
No
Molecular Formula
C18H14S2
Molecular Weight
294.400000
Exact Mass
294.053693
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)S)C3=CC=C(C=C3)S
InChI
InChI=1S/C18H14S2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12,19-20H
InChIKey
HSAKNFPXLQYFIJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
91.82
TPSA
2.0000
LogP / Solubility
WLOGP
5.6
MLOGP
4.94
XLogP3
5.5
Consensus LogP
5.35
Log S (ESOL)
-5.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.46
Class (SILICOS-IT)
Insoluble
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)
-0.54
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
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501
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