CAS RN: 3695-77-0
Triphenylmethanethiol
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260519 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20250305 | 1g | In stock | Shandong, Hebei | Inquiry |
| Batchno.20260615 | 25g | In stock | Shanghai, Shandong, Guangdong | Inquiry |
| Batchno.20250914 | 500g | In stock | Shanghai, Guangdong | Inquiry |
| Batchno.20250825 | 5g | In stock | Shanghai, Hebei | Inquiry |
- Product code: ICTT2244
- Purity/Analytical Methods: >97.0%(HPLC)
3695-77-0 / triphenylmethanethiol
Basic Information
CAS
3695-77-0
Multi CAS
No
Molecular Formula
C19H16S
Molecular Weight
276.400000
Exact Mass
276.097272
InChI
InChI=1S/C19H16S/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H
InChIKey
JQZIKLPHXXBMCA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
88.19
TPSA
1.0000
LogP / Solubility
WLOGP
4.91
MLOGP
4.33
XLogP3
4.7
Consensus LogP
4.65
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
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)
-0.92
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
