1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-
TL;DR: 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)- (CAS 3367-89-3) is a chemical compound with molecular formula C9H7N3O2S and molecular weight 221.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-amine
Also Known As: 5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-amine, 5-(BENZO[D][1,3]DIOXOL-5-YL)-1,3,4-THIADIAZOL-2-AMINE, 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-, 5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-amine, BAS 00857936
| Molecular Formula | C9H7N3O2S |
|---|---|
| Molecular Weight | 221.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.0259 |
| Heavy Atoms | 15 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 3367-89-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NN=C(S3)N |
| InChIKey | HPGXVMFPLXUDND-UHFFFAOYSA-N |
Product Overview
1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)- (CAS 3367-89-3), with molecular formula C9H7N3O2S and molecular weight 221.03 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-
Property Insights of 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-. Following Lipinski's Rule of Five, 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)- has 1 hydrogen bond donor(s) and 6 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 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-?
The CAS number of 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)- is 3367-89-3.
What is the molecular formula of 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-?
The molecular formula of 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)- is C9H7N3O2S.
What is the molecular weight of 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-?
The molecular weight of 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)- is 221.03 g/mol.
Where can I buy 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-?
You can request a quote for 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.