CAS RN: 21969-12-0
(4-Bromophenyl)(4-nitrophenyl)sulfane
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.20250901 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-105654
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Beijing | Inquiry |
21969-12-0 / 1-(4-bromophenyl)sulfanyl-4-nitrobenzene
Basic Information
CAS
21969-12-0
Multi CAS
No
Molecular Formula
C12H8BrNO2S
Molecular Weight
310.170000
Exact Mass
308.945910
SMILES
C1=CC(=CC=C1[N+](=O)[O-])SC2=CC=C(C=C2)Br
InChI
InChI=1S/C12H8BrNO2S/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H
InChIKey
XWPBPDJTKDECOY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
71.36
TPSA
43.14
LogP / Solubility
WLOGP
4.51
MLOGP
3.98
XLogP3
4.6
Consensus LogP
4.36
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.78
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
(4-Methyl-2-(methylthio)pyrimidin-5-yl)methanol
- CAS RN: 17759-40-9
- Product Code: LINM900282
-
(4-Methoxycarbonylbenzyl) triphenylphosphine bromide
- CAS RN: 1253-46-9
- Product Code: SSC-030018
-
-
(4AS,8aS,9S)-3-(benzyloxy)-4a-((tert-butyldimethylsilyl)oxy)-9-(dimethylamino)-8a,9-dihydronaphtho[2,3-d]isoxazole-4,5(4aH,8H)-dione
- CAS RN: 852821-06-8
- Product Code: SSC-193606
-
(4aS,9bR)-6-Bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
- CAS RN: 1059630-07-7
- Product Code: SSC-007597
-
![CAS 852821-06-8 (4AS,8aS,9S)-3-(benzyloxy)-4a-((tert-butyldimethylsilyl)oxy)-9-(dimethylamino)-8a,9-dihydronaphtho[2,3-d]isoxazole-4,5(4aH,8H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/852821-06-8.png)
![CAS 1059630-07-7 (4aS,9bR)-6-Bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1059630-07-7.png)
