CAS RN: 165190-76-1
4,7-Di(2-thienyl)-2,1,3-benzothiadiazole
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-072203
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: 0.1g, 0.25g, 1g
- Available purity: ≥98%
- 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.
165190-76-1 / 4,7-dithiophen-2-yl-2,1,3-benzothiadiazole
Basic Information
CAS
165190-76-1
Multi CAS
No
Molecular Formula
C14H8N2S3
Molecular Weight
300.400000
Exact Mass
299.984962
SMILES
C1=CSC(=C1)C2=CC=C(C3=NSN=C23)C4=CC=CS4
InChI
InChI=1S/C14H8N2S3/c1-3-11(17-7-1)9-5-6-10(12-4-2-8-18-12)14-13(9)15-19-16-14/h1-8H
InChIKey
XGERJWSXTKVPSV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
19
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
84.04
TPSA
25.78
LogP / Solubility
WLOGP
5.15
MLOGP
4.54
XLogP3
4.5
Consensus LogP
4.73
Log S (ESOL)
-5.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.13
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
![CAS 1467776-41-5 5,10-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[1,2-c:5,6-c’]bis([1,2,5]thiadiazole) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
5,10-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[1,2-c:5,6-c’]bis([1,2,5]thiadiazole)
- CAS RN: 1467776-41-5
- Product Code: ICTB5470
- Purity/Analytical method: >98.0%(HPLC)
-
Naphtho[1,2-c:5,6-c’]bis([1,2,5]thiadiazole)
- CAS RN: 133546-47-1
- Product Code: SSC-040388
-
5,10-Dibromonaphtho[1,2-c:5,6-c’]bis([1,2,5]thiadiazole)
- CAS RN: 133546-50-6
- Product Code: ICTD5288
- Purity/Analytical method: >96.0%(HPLC)
-
5,10-Dibromonaphtho[1,2-c:5,6-c’]bis([1,2,5]oxadiazole)
- CAS RN: 1437229-17-8
- Product Code: ICTD5496
- Purity/Analytical method: >98.0%(HPLC)
-
4,7-Bis(5-bromo-2-thienyl)-2,1,3-benzothiadiazole
- CAS RN: 288071-87-4
- Product Code: SSC-130535
-
7-Bromo-2,1,3-benzothiadiazole-4-carbonitrile
- CAS RN: 1331742-86-9
- Product Code: SSC-039838
![CAS 1467776-41-5 5,10-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[1,2-c:5,6-c’]bis([1,2,5]thiadiazole) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5470-jpgcontextbwfzdgvyfhjvb3r8mzy5ndf8aw1hz2uvanblz3xonmivagy1lzg5mjkymdi5otuymzavqju0nzauanbnfdq2mjyxnty4yzg0mgzjotqwotg1zge4ntg2njdlmdg4mjg3owq5ywmwnwvhn2zjzgy3y2jjndexzwq5odq0yty.jpeg)
![CAS 133546-47-1 Naphtho[1,2-c:5,6-c’]bis([1,2,5]thiadiazole) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/n1105-jpgcontextbwfzdgvyfhjvb3r8mzuzmjf8aw1hz2uvanblz3xomzkvagrhlzg5mze3ndk4ntuynjivtjexmduuanbnfgzmzjg3ntczzgnjothjzdmxzdg2ytawntmymjgyntbmyza5nji5yjg3mda2ymnkymixnzfjzwmxmjcwnzfkmju.jpeg)
![CAS 133546-50-6 5,10-Dibromonaphtho[1,2-c:5,6-c’]bis([1,2,5]thiadiazole) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5288-jpgcontextbwfzdgvyfhjvb3r8mzy0njz8aw1hz2uvanblz3xonmmvadk5lzg5mzaznjyxmjgxntgvrduyodguanbnfgy4ndzhzmvizdg2ytu5ndhmothhogvindq3zwrmyjy1ntjinwy0nzbjzmfmyzk4ywvizwu4ntkxodhlnjy2nte.jpeg)
![CAS 1437229-17-8 5,10-Dibromonaphtho[1,2-c:5,6-c’]bis([1,2,5]oxadiazole) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5496-jpgcontextbwfzdgvyfhjvb3r8mzy1mdn8aw1hz2uvanblz3xomjgvagzmlzg5mzaznzuxmdy1otavrdu0otyuanbnfdlizje4zwyxztdhmdbhztayngzkmza1nwu0y2e5zgzmmdm3owu1ngm4otvkody1ndawm2njmmy3otq5nwq5mjg.jpeg)
