![1-Propanesulfonic acid, 3-[(aminoiminomethyl)thio]- structure](/static/products/2166/21668-81-5.webp)
1-Propanesulfonic acid, 3-[(aminoiminomethyl)thio]-
TL;DR: 1-Propanesulfonic acid, 3-[(aminoiminomethyl)thio]- (CAS 21668-81-5) is a chemical compound with molecular formula C4H10N2O3S2 and molecular weight 198.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-carbamimidoylsulfanylpropane-1-sulfonic acid
Also Known As: 3-(Amidinothio)-1-propanesulfonic acid, 3-(Carbamimidoylthio)propane-1-sulfonic acid, 3-S-Isothiuronium propyl sulfonate, 3-carbamimidoylsulfanylpropane-1-sulfonic acid, 3-S-Isothiuroniumpropylsulfonate
| Molecular Formula | C4H10N2O3S2 |
|---|---|
| Molecular Weight | 198.01 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.01329 |
| Heavy Atoms | 11 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 21668-81-5 |
|---|---|
| SMILES | C(CSC(=N)N)CS(=O)(=O)O |
| InChIKey | MQLJIOAPXLAGAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Propanesulfonic acid, 3-[(aminoiminomethyl)thio]- (CAS 21668-81-5), with molecular formula C4H10N2O3S2 and molecular weight 198.01 g/mol. IUPAC: 3-carbamimidoylsulfanylpropane-1-sulfonic acid.
Chemical Property Profile of 1-Propanesulfonic acid, 3-[(aminoiminomethyl)thio]-
Property Insights of 1-Propanesulfonic acid, 3-[(aminoiminomethyl)thio]-
The XLogP value of -0.6 indicates that 1-Propanesulfonic acid, 3-[(aminoiminomethyl)thio]- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propanesulfonic acid, 3-[(aminoiminomethyl)thio]-. Following Lipinski's Rule of Five, 1-Propanesulfonic acid, 3-[(aminoiminomethyl)thio]- has 3 hydrogen bond donor(s) and 5 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 1-Propanesulfonic acid, 3-[(aminoiminomethyl)thio]-?
The CAS number of 1-Propanesulfonic acid, 3-[(aminoiminomethyl)thio]- is 21668-81-5.
What is the molecular formula of 1-Propanesulfonic acid, 3-[(aminoiminomethyl)thio]-?
The molecular formula of 1-Propanesulfonic acid, 3-[(aminoiminomethyl)thio]- is C4H10N2O3S2.
What is the molecular weight of 1-Propanesulfonic acid, 3-[(aminoiminomethyl)thio]-?
The molecular weight of 1-Propanesulfonic acid, 3-[(aminoiminomethyl)thio]- is 198.01 g/mol.
Where can I buy 1-Propanesulfonic acid, 3-[(aminoiminomethyl)thio]-?
You can request a quote for 1-Propanesulfonic 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 1-Propanesulfonic acid, 3-[(aminoiminomethyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanesulfonic acid, 3-[(aminoiminomethyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.