Carbamimidothioic acid, 3-aminobutyl ester, dihydrobromide
TL;DR: Carbamimidothioic acid, 3-aminobutyl ester, dihydrobromide (CAS 33977-39-8) is a chemical compound with molecular formula C5H15Br2N3S and molecular weight 306.93533 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-aminobutyl carbamimidothioate;dihydrobromide
Also Known As: dl-Abt, S,4-Aminobutylisothiuronium bromide hydrobromide, dl-S-2-Aminobutylisothiouronium bromide hydrobromide, 2-(4-Aminobutyl)-2-thiopseudourea dihydrobromide, 4-aminobutyl carbamimidothioate;dihydrobromide
Technical Specifications
| Molecular Formula | C5H15Br2N3S |
| Molecular Weight | 306.93533 g/mol |
| XLogP | 1.51 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.9333 Da |
| Heavy Atoms | 11 |
| Complexity | 78.0 |
| SMILES | C(CCSC(=N)N)CN.Br.Br |
| InChIKey | NICDYIQSKYACMJ-UHFFFAOYSA-N |
Chemical Property Profile of Carbamimidothioic acid, 3-aminobutyl ester, dihydrobromide
Property Insights of Carbamimidothioic acid, 3-aminobutyl ester, dihydrobromide
The XLogP value of 1.51 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamimidothioic acid, 3-aminobutyl ester, dihydrobromide. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamimidothioic acid, 3-aminobutyl ester, dihydrobromide. Following Lipinski's Rule of Five, Carbamimidothioic acid, 3-aminobutyl ester, dihydrobromide has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Carbamimidothioic acid, 3-aminobutyl ester, dihydrobromide?
The CAS number of Carbamimidothioic acid, 3-aminobutyl ester, dihydrobromide is 33977-39-8.
What is the molecular formula of Carbamimidothioic acid, 3-aminobutyl ester, dihydrobromide?
The molecular formula of Carbamimidothioic acid, 3-aminobutyl ester, dihydrobromide is C5H15Br2N3S.
What is the molecular weight of Carbamimidothioic acid, 3-aminobutyl ester, dihydrobromide?
The molecular weight of Carbamimidothioic acid, 3-aminobutyl ester, dihydrobromide is 306.93533 g/mol.
Where can I buy Carbamimidothioic acid, 3-aminobutyl ester, dihydrobromide?
You can request a quote for Carbamimidothioic acid, 3-aminobutyl ester, dihydrobromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamimidothioic acid, 3-aminobutyl ester, dihydrobromide?
Yes, CoreyChem provides custom synthesis services for Carbamimidothioic acid, 3-aminobutyl ester, dihydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.