![[(4-Aminobutyl)sulfanyl]methanimidamide structure](/static/products/1049/104926-39-8.webp)
[(4-Aminobutyl)sulfanyl]methanimidamide
TL;DR: [(4-Aminobutyl)sulfanyl]methanimidamide (CAS 104926-39-8) is a chemical compound with molecular formula C5H13N3S and molecular weight 147.08302 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-aminobutyl carbamimidothioate
Also Known As: 2-(4-Aminobutyl)isothiourea, [(4-aminobutyl)sulfanyl]methanimidamide, 4-aminobutyl carbamimidothioate, 4-aminobutylsulfanylmethanimidamide
Technical Specifications
| Molecular Formula | C5H13N3S |
| Molecular Weight | 147.08302 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 147.08302 Da |
| Heavy Atoms | 9 |
| Complexity | 84.0 |
| SMILES | C(CCSC(=N)N)CN |
| InChIKey | PKDIQRBEKZCRHY-UHFFFAOYSA-N |
Chemical Property Profile of [(4-Aminobutyl)sulfanyl]methanimidamide
Property Insights of [(4-Aminobutyl)sulfanyl]methanimidamide
The XLogP value of -0.1 indicates that [(4-Aminobutyl)sulfanyl]methanimidamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(4-Aminobutyl)sulfanyl]methanimidamide. Following Lipinski's Rule of Five, [(4-Aminobutyl)sulfanyl]methanimidamide 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 [(4-Aminobutyl)sulfanyl]methanimidamide?
The CAS number of [(4-Aminobutyl)sulfanyl]methanimidamide is 104926-39-8.
What is the molecular formula of [(4-Aminobutyl)sulfanyl]methanimidamide?
The molecular formula of [(4-Aminobutyl)sulfanyl]methanimidamide is C5H13N3S.
What is the molecular weight of [(4-Aminobutyl)sulfanyl]methanimidamide?
The molecular weight of [(4-Aminobutyl)sulfanyl]methanimidamide is 147.08302 g/mol.
Where can I buy [(4-Aminobutyl)sulfanyl]methanimidamide?
You can request a quote for [(4-Aminobutyl)sulfanyl]methanimidamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [(4-Aminobutyl)sulfanyl]methanimidamide?
Yes, CoreyChem provides custom synthesis services for [(4-Aminobutyl)sulfanyl]methanimidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.