3-Hydroxypropyl carbamimidothioate--hydrogen bromide (1/1)
TL;DR: 3-Hydroxypropyl carbamimidothioate--hydrogen bromide (1/1) (CAS 16111-14-1) is a chemical compound with molecular formula C4H11BrN2OS and molecular weight 213.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxypropyl carbamimidothioate;hydrobromide
Also Known As: 3-hydroxypropyl carbamimidothioate hydrobromide, 2-(3-Hydroxypropyl)-2-thiopseudourea, monohydrobromide, 3-hydroxypropyl carbamimidothioate hydrobromide(1:1), 3-Hydroxypropyl carbamimidothioate--hydrogen bromide (1/1), Pseudourea, 2-(3-hydroxypropyl)-2-thio-, monohydrobromide
| Molecular Formula | C4H11BrN2OS |
|---|---|
| Molecular Weight | 213.98 g/mol |
| LogP | 0.57 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.97755 |
| Heavy Atoms | 9 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 16111-14-1 |
|---|---|
| SMILES | C(CO)CSC(=N)N.Br |
| InChIKey | XDNJNHFPTDYWRB-UHFFFAOYSA-N |
Product Overview
3-Hydroxypropyl carbamimidothioate--hydrogen bromide (1/1) (CAS 16111-14-1), with molecular formula C4H11BrN2OS and molecular weight 213.98 g/mol. IUPAC: 3-hydroxypropyl carbamimidothioate;hydrobromide.
Chemical Property Profile of 3-Hydroxypropyl carbamimidothioate--hydrogen bromide (1/1)
Property Insights of 3-Hydroxypropyl carbamimidothioate--hydrogen bromide (1/1)
The XLogP value of 0.57 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxypropyl carbamimidothioate--hydrogen bromide (1/1). The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxypropyl carbamimidothioate--hydrogen bromide (1/1). Following Lipinski's Rule of Five, 3-Hydroxypropyl carbamimidothioate--hydrogen bromide (1/1) has 4 hydrogen bond donor(s) and 3 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 3-Hydroxypropyl carbamimidothioate--hydrogen bromide (1/1)?
The CAS number of 3-Hydroxypropyl carbamimidothioate--hydrogen bromide (1/1) is 16111-14-1.
What is the molecular formula of 3-Hydroxypropyl carbamimidothioate--hydrogen bromide (1/1)?
The molecular formula of 3-Hydroxypropyl carbamimidothioate--hydrogen bromide (1/1) is C4H11BrN2OS.
What is the molecular weight of 3-Hydroxypropyl carbamimidothioate--hydrogen bromide (1/1)?
The molecular weight of 3-Hydroxypropyl carbamimidothioate--hydrogen bromide (1/1) is 213.98 g/mol.
Where can I buy 3-Hydroxypropyl carbamimidothioate--hydrogen bromide (1/1)?
You can request a quote for 3-Hydroxypropyl carbamimidothioate--hydrogen bromide (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxypropyl carbamimidothioate--hydrogen bromide (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxypropyl carbamimidothioate--hydrogen bromide (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.