Carbamimidothioic acid, methyl ester, monohydrobromide
TL;DR: Carbamimidothioic acid, methyl ester, monohydrobromide (CAS 1068-58-2) is a chemical compound with molecular formula C2H7BrN2S and molecular weight 169.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl carbamimidothioate;hydrobromide
Also Known As: S-Methylisothiourea hydrobromide, Methylisothiouronium bromide, S-Methyl isothiourea, S-Methyl-isothiourea, S-Methylisothiouronium
| Molecular Formula | C2H7BrN2S |
|---|---|
| Molecular Weight | 169.95 g/mol |
| LogP | 0.82 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.95132 |
| Heavy Atoms | 6 |
| Complexity | 42.0 |
Chemical Identifiers
| CAS Number | 1068-58-2 |
|---|---|
| SMILES | CSC(=N)N.Br |
| InChIKey | JWNGATKGDWXEDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamimidothioic acid, methyl ester, monohydrobromide (CAS 1068-58-2), with molecular formula C2H7BrN2S and molecular weight 169.95 g/mol. IUPAC: methyl carbamimidothioate;hydrobromide.
Chemical Property Profile of Carbamimidothioic acid, methyl ester, monohydrobromide
Property Insights of Carbamimidothioic acid, methyl ester, monohydrobromide
The XLogP value of 0.82 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamimidothioic acid, methyl ester, monohydrobromide. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamimidothioic acid, methyl ester, monohydrobromide. Following Lipinski's Rule of Five, Carbamimidothioic acid, methyl ester, monohydrobromide has 3 hydrogen bond donor(s) and 2 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, methyl ester, monohydrobromide?
The CAS number of Carbamimidothioic acid, methyl ester, monohydrobromide is 1068-58-2.
What is the molecular formula of Carbamimidothioic acid, methyl ester, monohydrobromide?
The molecular formula of Carbamimidothioic acid, methyl ester, monohydrobromide is C2H7BrN2S.
What is the molecular weight of Carbamimidothioic acid, methyl ester, monohydrobromide?
The molecular weight of Carbamimidothioic acid, methyl ester, monohydrobromide is 169.95 g/mol.
Where can I buy Carbamimidothioic acid, methyl ester, monohydrobromide?
You can request a quote for Carbamimidothioic acid, methyl 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, methyl ester, monohydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Carbamimidothioic acid, methyl ester, monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.