Carbamimidothioic acid, 2,1,3-benzothiadiazol-5-ylmethyl ester, monohydrobromide
TL;DR: Carbamimidothioic acid, 2,1,3-benzothiadiazol-5-ylmethyl ester, monohydrobromide (CAS 65858-52-8) is a chemical compound with molecular formula C8H9BrN4S2 and molecular weight 303.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,1,3-benzothiadiazol-5-ylmethyl carbamimidothioate;hydrobromide
Also Known As: Carbamimidothioic acid, 2,1,3-benzothiadiazol-5-ylmethyl ester, monohydrobromide, 2,1,3-benzothiadiazol-5-ylmethyl carbamimidothioate,hydrobromide, 2,1,3-benzothiadiazol-5-ylmethyl carbamimidothioate hydrobromide, {[(2,1,3-benzothiadiazol-5-yl)methyl]sulfanyl}methanimidamide hydrobromide, (2,1,3-Benzothiadiazol-5-yl)methyl carbamimidothioate--hydrogen bromide (1/1)
| Molecular Formula | C8H9BrN4S2 |
|---|---|
| Molecular Weight | 303.95 g/mol |
| LogP | 2.39587 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.9452 |
| Heavy Atoms | 15 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 65858-52-8 |
|---|---|
| SMILES | C1=CC2=NSN=C2C=C1CSC(=N)N.Br |
| InChIKey | AAZGCLNSBIGVTB-UHFFFAOYSA-N |
Product Overview
Carbamimidothioic acid, 2,1,3-benzothiadiazol-5-ylmethyl ester, monohydrobromide (CAS 65858-52-8), with molecular formula C8H9BrN4S2 and molecular weight 303.95 g/mol. IUPAC: 2,1,3-benzothiadiazol-5-ylmethyl carbamimidothioate;hydrobromide.
Chemical Property Profile of Carbamimidothioic acid, 2,1,3-benzothiadiazol-5-ylmethyl ester, monohydrobromide
Property Insights of Carbamimidothioic acid, 2,1,3-benzothiadiazol-5-ylmethyl ester, monohydrobromide
The XLogP value of 2.39587 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamimidothioic acid, 2,1,3-benzothiadiazol-5-ylmethyl ester, monohydrobromide. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamimidothioic acid, 2,1,3-benzothiadiazol-5-ylmethyl ester, monohydrobromide. Following Lipinski's Rule of Five, Carbamimidothioic acid, 2,1,3-benzothiadiazol-5-ylmethyl ester, monohydrobromide has 3 hydrogen bond donor(s) and 5 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 Carbamimidothioic acid, 2,1,3-benzothiadiazol-5-ylmethyl ester, monohydrobromide?
The CAS number of Carbamimidothioic acid, 2,1,3-benzothiadiazol-5-ylmethyl ester, monohydrobromide is 65858-52-8.
What is the molecular formula of Carbamimidothioic acid, 2,1,3-benzothiadiazol-5-ylmethyl ester, monohydrobromide?
The molecular formula of Carbamimidothioic acid, 2,1,3-benzothiadiazol-5-ylmethyl ester, monohydrobromide is C8H9BrN4S2.
What is the molecular weight of Carbamimidothioic acid, 2,1,3-benzothiadiazol-5-ylmethyl ester, monohydrobromide?
The molecular weight of Carbamimidothioic acid, 2,1,3-benzothiadiazol-5-ylmethyl ester, monohydrobromide is 303.95 g/mol.
Where can I buy Carbamimidothioic acid, 2,1,3-benzothiadiazol-5-ylmethyl ester, monohydrobromide?
You can request a quote for Carbamimidothioic acid, 2,1,3-benzothiadiazol-5-ylmethyl ester, monohydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamimidothioic acid, 2,1,3-benzothiadiazol-5-ylmethyl ester, monohydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Carbamimidothioic acid, 2,1,3-benzothiadiazol-5-ylmethyl ester, monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.