![CAS 6969-14-8 4-([(4-CHLOROPHENYL)SULFANYL]METHYL)PHENYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6969-14-8.gif)
CAS RN: 6969-14-8
4-([(4-CHLOROPHENYL)SULFANYL]METHYL)PHENYLAMINE
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.20250330 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6969-14-8
- Purity/Analytical Methods: >99.0%
6969-14-8 / 4-[(4-chlorophenyl)sulfanylmethyl]aniline
Basic Information
CAS
6969-14-8
Multi CAS
Yes
Molecular Formula
C13H12CLNS
Molecular Weight
249.760000
Exact Mass
249.037898
InChI
InChI=1S/C13H12ClNS/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-8H,9,15H2
InChIKey
GLWJXRWRWISHMX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.87
TPSA
26.02
LogP / Solubility
WLOGP
4.21
MLOGP
3.71
XLogP3
3.9
Consensus LogP
3.94
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
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)
-1.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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