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Propanoic acid, 3-[(aminoiminomethyl)thio]-
TL;DR: Propanoic acid, 3-[(aminoiminomethyl)thio]- (CAS 5398-29-8) is a chemical compound with molecular formula C4H8N2O2S and molecular weight 148.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-carbamimidoylsulfanylpropanoic acid
Also Known As: 3-(Amidinothio)propionic acid, 3-ISOTHIOUREIDOPROPIONIC ACID, ATPN, 3-carbamimidoylsulfanylpropanoic acid, beta-Isothiureidopropionic acid
| Molecular Formula | C4H8N2O2S |
|---|---|
| Molecular Weight | 148.03 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 148.03065 |
| Heavy Atoms | 9 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 5398-29-8 |
|---|---|
| SMILES | C(CSC(=N)N)C(=O)O |
| InChIKey | ICCLGNPZARKJKF-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 3-[(aminoiminomethyl)thio]- (CAS 5398-29-8), with molecular formula C4H8N2O2S and molecular weight 148.03 g/mol. IUPAC: 3-carbamimidoylsulfanylpropanoic acid.
Chemical Property Profile of Propanoic acid, 3-[(aminoiminomethyl)thio]-
Property Insights of Propanoic acid, 3-[(aminoiminomethyl)thio]-
The XLogP value of -0.3 indicates that Propanoic acid, 3-[(aminoiminomethyl)thio]- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 3-[(aminoiminomethyl)thio]-. Following Lipinski's Rule of Five, Propanoic acid, 3-[(aminoiminomethyl)thio]- has 3 hydrogen bond donor(s) and 4 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 Propanoic acid, 3-[(aminoiminomethyl)thio]-?
The CAS number of Propanoic acid, 3-[(aminoiminomethyl)thio]- is 5398-29-8.
What is the molecular formula of Propanoic acid, 3-[(aminoiminomethyl)thio]-?
The molecular formula of Propanoic acid, 3-[(aminoiminomethyl)thio]- is C4H8N2O2S.
What is the molecular weight of Propanoic acid, 3-[(aminoiminomethyl)thio]-?
The molecular weight of Propanoic acid, 3-[(aminoiminomethyl)thio]- is 148.03 g/mol.
Where can I buy Propanoic acid, 3-[(aminoiminomethyl)thio]-?
You can request a quote for Propanoic acid, 3-[(aminoiminomethyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 3-[(aminoiminomethyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-[(aminoiminomethyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.