S-(2-Carbamimidamidoethyl) hydrogen sulfurothioate
TL;DR: S-(2-Carbamimidamidoethyl) hydrogen sulfurothioate (CAS 7176-65-0) is a chemical compound with molecular formula C3H9N3O3S2 and molecular weight 199.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diaminomethylideneamino)-2-sulfosulfanylethane
Also Known As: Guanidoethyl thiosulfuric acid, 2-Guanidinoethanethiol hydrogen sulfate (ester), thiosulfuricacids-[2-[amino]ethyl]ester, ThiosulfuricacidS-[2-[ amino]ethyl]ester, Ethanethiol, 2-guanidino-, hydrogen sulfate (ester)
| Molecular Formula | C3H9N3O3S2 |
|---|---|
| Molecular Weight | 199.01 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 199.00853 |
| Heavy Atoms | 11 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 7176-65-0 |
|---|---|
| SMILES | C(CSS(=O)(=O)O)N=C(N)N |
| InChIKey | BESWVQPILXAJAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(2-Carbamimidamidoethyl) hydrogen sulfurothioate (CAS 7176-65-0), with molecular formula C3H9N3O3S2 and molecular weight 199.01 g/mol. IUPAC: 1-(diaminomethylideneamino)-2-sulfosulfanylethane.
Chemical Property Profile of S-(2-Carbamimidamidoethyl) hydrogen sulfurothioate
Property Insights of S-(2-Carbamimidamidoethyl) hydrogen sulfurothioate
The XLogP value of -2.0 indicates that S-(2-Carbamimidamidoethyl) hydrogen sulfurothioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 152.0 Ų indicates high polarity, suggesting S-(2-Carbamimidamidoethyl) hydrogen sulfurothioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-(2-Carbamimidamidoethyl) hydrogen sulfurothioate 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 S-(2-Carbamimidamidoethyl) hydrogen sulfurothioate?
The CAS number of S-(2-Carbamimidamidoethyl) hydrogen sulfurothioate is 7176-65-0.
What is the molecular formula of S-(2-Carbamimidamidoethyl) hydrogen sulfurothioate?
The molecular formula of S-(2-Carbamimidamidoethyl) hydrogen sulfurothioate is C3H9N3O3S2.
What is the molecular weight of S-(2-Carbamimidamidoethyl) hydrogen sulfurothioate?
The molecular weight of S-(2-Carbamimidamidoethyl) hydrogen sulfurothioate is 199.01 g/mol.
Where can I buy S-(2-Carbamimidamidoethyl) hydrogen sulfurothioate?
You can request a quote for S-(2-Carbamimidamidoethyl) hydrogen sulfurothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-Carbamimidamidoethyl) hydrogen sulfurothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-Carbamimidamidoethyl) hydrogen sulfurothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.