Carbamimidothioic acid, 2-propenyl ester, monohydrobromide
TL;DR: Carbamimidothioic acid, 2-propenyl ester, monohydrobromide (CAS 41848-21-9) is a chemical compound with molecular formula C4H9BrN2S and molecular weight 195.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl carbamimidothioate;hydrobromide
Also Known As: Pseudourea, 2-allyl-2-thio-, hydrobromide, S-allylisothiourea hydrobromide, 2-Allyl-2-thiopseudourea, monohydrobromide, prop-2-enyl carbamimidothioate;hydrobromide, S-Allyl-isothioharnstoff,Hydrobromid
| Molecular Formula | C4H9BrN2S |
|---|---|
| Molecular Weight | 195.97 g/mol |
| LogP | 1.37697 |
| Topological Polar Surface Area | 49.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.96698 |
| Heavy Atoms | 8 |
| Complexity | 84.1075 |
Chemical Identifiers
| CAS Number | 41848-21-9 |
|---|---|
| SMILES | C=CCSC(=N)N.Br |
Product Overview
Carbamimidothioic acid, 2-propenyl ester, monohydrobromide (CAS 41848-21-9), with molecular formula C4H9BrN2S and molecular weight 195.97 g/mol. IUPAC: prop-2-enyl carbamimidothioate;hydrobromide.
Chemical Property Profile of Carbamimidothioic acid, 2-propenyl ester, monohydrobromide
Property Insights of Carbamimidothioic acid, 2-propenyl ester, monohydrobromide
The XLogP value of 1.37697 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamimidothioic acid, 2-propenyl ester, monohydrobromide. With a topological polar surface area (TPSA) of 49.87 Ų, Carbamimidothioic acid, 2-propenyl ester, monohydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamimidothioic acid, 2-propenyl ester, monohydrobromide has 2 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, 2-propenyl ester, monohydrobromide?
The CAS number of Carbamimidothioic acid, 2-propenyl ester, monohydrobromide is 41848-21-9.
What is the molecular formula of Carbamimidothioic acid, 2-propenyl ester, monohydrobromide?
The molecular formula of Carbamimidothioic acid, 2-propenyl ester, monohydrobromide is C4H9BrN2S.
What is the molecular weight of Carbamimidothioic acid, 2-propenyl ester, monohydrobromide?
The molecular weight of Carbamimidothioic acid, 2-propenyl ester, monohydrobromide is 195.97 g/mol.
Where can I buy Carbamimidothioic acid, 2-propenyl ester, monohydrobromide?
You can request a quote for Carbamimidothioic acid, 2-propenyl 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-propenyl ester, monohydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Carbamimidothioic acid, 2-propenyl ester, monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.