S-carbamimidoyl ethanethioate
TL;DR: S-carbamimidoyl ethanethioate (CAS 21156-13-8) is a chemical compound with molecular formula C3H6N2OS and molecular weight 118.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-carbamimidoyl ethanethioate
Also Known As: S-acetyl-isothiourea, Acetylsulfanylmethanimidamide, S-carbamimidoyl ethanethioate
| Molecular Formula | C3H6N2OS |
|---|---|
| Molecular Weight | 118.02 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 118.02008 |
| Heavy Atoms | 7 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 21156-13-8 |
|---|---|
| SMILES | CC(=O)SC(=N)N |
| InChIKey | IDCAZEIPDKQJEN-UHFFFAOYSA-N |
Product Overview
S-carbamimidoyl ethanethioate (CAS 21156-13-8), with molecular formula C3H6N2OS and molecular weight 118.02 g/mol. IUPAC: S-carbamimidoyl ethanethioate.
Chemical Property Profile of S-carbamimidoyl ethanethioate
Property Insights of S-carbamimidoyl ethanethioate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-carbamimidoyl ethanethioate. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for S-carbamimidoyl ethanethioate. Following Lipinski's Rule of Five, S-carbamimidoyl ethanethioate has 2 hydrogen bond donor(s) and 3 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-carbamimidoyl ethanethioate?
The CAS number of S-carbamimidoyl ethanethioate is 21156-13-8.
What is the molecular formula of S-carbamimidoyl ethanethioate?
The molecular formula of S-carbamimidoyl ethanethioate is C3H6N2OS.
What is the molecular weight of S-carbamimidoyl ethanethioate?
The molecular weight of S-carbamimidoyl ethanethioate is 118.02 g/mol.
Where can I buy S-carbamimidoyl ethanethioate?
You can request a quote for S-carbamimidoyl ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-carbamimidoyl ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-carbamimidoyl ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.