5,6-Diaminobenzothiazolinone
TL;DR: 5,6-Diaminobenzothiazolinone (CAS 120791-35-7) is a chemical compound with molecular formula C7H7N3OS and molecular weight 181.03099 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,6-diamino-3H-1,3-benzothiazol-2-one
Also Known As: 5,6-DIAMINOBENZOTHIAZOLINONE, 2(3H)-Benzothiazolone,5,6-diamino-, 5,6-diamino-3H-1,3-benzothiazol-2-one, 5,6-diamino-3H-benzothiazol-2-one, 5,6-Diamino-2(3H)-benzothiazolone,
Technical Specifications
| Molecular Formula | C7H7N3OS |
| Molecular Weight | 181.03099 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.03099 Da |
| Heavy Atoms | 12 |
| Complexity | 211.0 |
| SMILES | C1=C(C(=CC2=C1NC(=O)S2)N)N |
| InChIKey | MVNQBUYZEFYXCF-UHFFFAOYSA-N |
Chemical Property Profile of 5,6-Diaminobenzothiazolinone
Property Insights of 5,6-Diaminobenzothiazolinone
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Diaminobenzothiazolinone. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-Diaminobenzothiazolinone. Following Lipinski's Rule of Five, 5,6-Diaminobenzothiazolinone has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5,6-Diaminobenzothiazolinone?
The CAS number of 5,6-Diaminobenzothiazolinone is 120791-35-7.
What is the molecular formula of 5,6-Diaminobenzothiazolinone?
The molecular formula of 5,6-Diaminobenzothiazolinone is C7H7N3OS.
What is the molecular weight of 5,6-Diaminobenzothiazolinone?
The molecular weight of 5,6-Diaminobenzothiazolinone is 181.03099 g/mol.
Where can I buy 5,6-Diaminobenzothiazolinone?
You can request a quote for 5,6-Diaminobenzothiazolinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5,6-Diaminobenzothiazolinone?
Yes, CoreyChem provides custom synthesis services for 5,6-Diaminobenzothiazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.