2,1,3-Benzothiadiazol-2(S(sup IV))-4-amine, N,N-dimethyl-
TL;DR: 2,1,3-Benzothiadiazol-2(S(sup IV))-4-amine, N,N-dimethyl- (CAS 66046-53-5) is a chemical compound with molecular formula C8H9N3S and molecular weight 179.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2,1,3-benzothiadiazol-4-amine
Also Known As: 4-dimethylaminobenzo-2,1,3-thiadiazole, 2,1,3-Benzothiadiazol-2(S(sup IV))-4-amine, N,N-dimethyl-, N,N-Dimethyl-2,1,3-benzothiadiazol-2(S(sup IV))-4-amine, N,N-dimethyl-2,1,3-benzothiadiazol-4-amine, 2,1,3-Benzothiadiazol-4-amine, N,N-dimethyl-
| Molecular Formula | C8H9N3S |
|---|---|
| Molecular Weight | 179.05 g/mol |
| LogP | 1.7573 |
| Topological Polar Surface Area | 29.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.05171 |
| Heavy Atoms | 12 |
| Complexity | 393.85724 |
Chemical Identifiers
| CAS Number | 66046-53-5 |
|---|---|
| SMILES | CN(C)C1=CC=CC2=NSN=C21 |
Product Overview
2,1,3-Benzothiadiazol-2(S(sup IV))-4-amine, N,N-dimethyl- (CAS 66046-53-5), with molecular formula C8H9N3S and molecular weight 179.05 g/mol. IUPAC: N,N-dimethyl-2,1,3-benzothiadiazol-4-amine.
Chemical Property Profile of 2,1,3-Benzothiadiazol-2(S(sup IV))-4-amine, N,N-dimethyl-
Property Insights of 2,1,3-Benzothiadiazol-2(S(sup IV))-4-amine, N,N-dimethyl-
The XLogP value of 1.7573 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,1,3-Benzothiadiazol-2(S(sup IV))-4-amine, N,N-dimethyl-. With a topological polar surface area (TPSA) of 29.02 Ų, 2,1,3-Benzothiadiazol-2(S(sup IV))-4-amine, N,N-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,1,3-Benzothiadiazol-2(S(sup IV))-4-amine, N,N-dimethyl- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,1,3-Benzothiadiazol-2(S(sup IV))-4-amine, N,N-dimethyl-?
The CAS number of 2,1,3-Benzothiadiazol-2(S(sup IV))-4-amine, N,N-dimethyl- is 66046-53-5.
What is the molecular formula of 2,1,3-Benzothiadiazol-2(S(sup IV))-4-amine, N,N-dimethyl-?
The molecular formula of 2,1,3-Benzothiadiazol-2(S(sup IV))-4-amine, N,N-dimethyl- is C8H9N3S.
What is the molecular weight of 2,1,3-Benzothiadiazol-2(S(sup IV))-4-amine, N,N-dimethyl-?
The molecular weight of 2,1,3-Benzothiadiazol-2(S(sup IV))-4-amine, N,N-dimethyl- is 179.05 g/mol.
Where can I buy 2,1,3-Benzothiadiazol-2(S(sup IV))-4-amine, N,N-dimethyl-?
You can request a quote for 2,1,3-Benzothiadiazol-2(S(sup IV))-4-amine, N,N-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,1,3-Benzothiadiazol-2(S(sup IV))-4-amine, N,N-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,1,3-Benzothiadiazol-2(S(sup IV))-4-amine, N,N-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.