![CAS 1049032-33-8 2-[(2-amino-5-ethylphenyl)dithio]-4-ethylaniline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB52132663.gif)
CAS RN: 1049032-33-8
2-[(2-amino-5-ethylphenyl)dithio]-4-ethylaniline
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.20250208 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1049032-33-8
- Purity/Analytical Methods: >99.0%
1049032-33-8 / 2-[(2-amino-5-ethylphenyl)disulfanyl]-4-ethylaniline
2-[(2-amino-5-ethylphenyl)dithio]-4-ethylaniline | 2-[(2-amino-5-ethylphenyl)disulfanyl]-4-ethylaniline | MFCD12027301
Basic Information
CAS
1049032-33-8
Multi CAS
Yes
Molecular Formula
C16H20N2S2
Molecular Weight
304.500000
Exact Mass
304.106791
SMILES
CCC1=CC(=C(C=C1)N)SSC2=C(C=CC(=C2)CC)N
InChI
InChI=1S/C16H20N2S2/c1-3-11-5-7-13(17)15(9-11)19-20-16-10-12(4-2)6-8-14(16)18/h5-10H,3-4,17-18H2,1-2H3
InChIKey
YSCMDXQRKZBZFR-UHFFFAOYSA-N
Synonyms
2-[(2-amino-5-ethylphenyl)dithio]-4-ethylaniline
2-[(2-amino-5-ethylphenyl)disulfanyl]-4-ethylaniline
MFCD12027301
2,2'-disulfanediylbis(4-ethylaniline)
SCHEMBL31318267
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
92.18
TPSA
52.04
LogP / Solubility
WLOGP
4.78
MLOGP
4.21
XLogP3
4.3
Consensus LogP
4.43
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.2
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1049034-67-4 4,9-Dihydro-4,4,9,9-tetrakis(4-hexylphenyl)-s-indaceno[1,2-b:5,6-b’]dithiophene molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4,9-Dihydro-4,4,9,9-tetrakis(4-hexylphenyl)-s-indaceno[1,2-b:5,6-b’]dithiophene
- CAS RN: 1049034-67-4
- Product Code: SSC-006652
-
2,7-dibroMo-4,9-dihydro-4,4,9,9-tetrakis(4-hexylphenyl)-s-indaceno[1,2-b:5,6-b’]dithiophene
- CAS RN: 1049034-71-0
- Product Code: SSC-006653
-
Dihydro-5,5-diMethyl-2H-thiopyran-3(4H)-one-1,1-dioxide
- CAS RN: 1049093-43-7
- Product Code: starshine_CAS1049093-43-7
- Purity/Analytical method: >99.0%
-
2-Amino-5-bromo-3-fluoro-benzoic acid methyl ester
- CAS RN: 1049106-42-4
- Product Code: SSC-006657
-
2-(Hydroxymethyl)-4,6-dimethylbenzimidazole
- CAS RN: 1049110-09-9
- Product Code: SSC-006658
-
1H-IMidazole, 4-broMo-1-Methyl-2-(2-Methylphenyl)-
- CAS RN: 1049126-60-4
- Product Code: starshine_CAS1049126-60-4
- Purity/Analytical method: >99.0%
![CAS 1049034-67-4 4,9-Dihydro-4,4,9,9-tetrakis(4-hexylphenyl)-s-indaceno[1,2-b:5,6-b’]dithiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1049034-67-4.gif)
![CAS 1049034-71-0 2,7-dibroMo-4,9-dihydro-4,4,9,9-tetrakis(4-hexylphenyl)-s-indaceno[1,2-b:5,6-b’]dithiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1049034-71-0.gif)
