Benzyl carbamimidothioate;methanesulfonic acid
TL;DR: Benzyl carbamimidothioate;methanesulfonic acid (CAS 78135-08-7) is a chemical compound with molecular formula C9H14N2O3S2 and molecular weight 262.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl carbamimidothioate;methanesulfonic acid
Also Known As: benzyl carbamimidothioate,methanesulfonic acid, Benzyl carbamimidothioate;methanesulfonic acid, benzyl carbamimidothioate; methanesulfonic acid, Methanesulfonic acid--benzyl carbamimidothioate (1/1), methanesulfonic acid; phenylmethylsulfanylmethanimidamide
| Molecular Formula | C9H14N2O3S2 |
|---|---|
| Molecular Weight | 262.04 g/mol |
| LogP | 1.31727 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.0446 |
| Heavy Atoms | 16 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 78135-08-7 |
|---|---|
| SMILES | CS(=O)(=O)O.C1=CC=C(C=C1)CSC(=N)N |
| InChIKey | BSVKNAFQZDTYAX-UHFFFAOYSA-N |
Product Overview
Benzyl carbamimidothioate;methanesulfonic acid (CAS 78135-08-7), with molecular formula C9H14N2O3S2 and molecular weight 262.04 g/mol. IUPAC: benzyl carbamimidothioate;methanesulfonic acid.
Chemical Property Profile of Benzyl carbamimidothioate;methanesulfonic acid
Property Insights of Benzyl carbamimidothioate;methanesulfonic acid
The XLogP value of 1.31727 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl carbamimidothioate;methanesulfonic acid. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl carbamimidothioate;methanesulfonic acid. Following Lipinski's Rule of Five, Benzyl carbamimidothioate;methanesulfonic acid 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 Benzyl carbamimidothioate;methanesulfonic acid?
The CAS number of Benzyl carbamimidothioate;methanesulfonic acid is 78135-08-7.
What is the molecular formula of Benzyl carbamimidothioate;methanesulfonic acid?
The molecular formula of Benzyl carbamimidothioate;methanesulfonic acid is C9H14N2O3S2.
What is the molecular weight of Benzyl carbamimidothioate;methanesulfonic acid?
The molecular weight of Benzyl carbamimidothioate;methanesulfonic acid is 262.04 g/mol.
Where can I buy Benzyl carbamimidothioate;methanesulfonic acid?
You can request a quote for Benzyl carbamimidothioate;methanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl carbamimidothioate;methanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for Benzyl carbamimidothioate;methanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.