![2-[(4-Chlorophenyl)thio]ethyl carbamimidothioate structure](/static/products/959/959958-01-1.png)
2-[(4-Chlorophenyl)thio]ethyl carbamimidothioate
TL;DR: 2-[(4-Chlorophenyl)thio]ethyl carbamimidothioate (CAS 959958-01-1) is a chemical compound with molecular formula C9H11ClN2S2 and molecular weight 246.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)sulfanylethyl carbamimidothioate
Also Known As: 2-[(4-Chlorophenyl)thio]ethyl carbamimidothioate, AB01328234-02, 2-(4-chlorophenyl)sulfanylethyl carbamimidothioate, 2-[(4-Chlorophenyl)sulfanyl]ethyl carbamimidothioate
| Molecular Formula | C9H11ClN2S2 |
|---|---|
| Molecular Weight | 246.01 g/mol |
| LogP | 3.05877 |
| Topological Polar Surface Area | 49.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.00522 |
| Heavy Atoms | 14 |
| Complexity | 300.18518 |
Chemical Identifiers
| CAS Number | 959958-01-1 |
|---|---|
| SMILES | C1=CC(=CC=C1SCCSC(=N)N)Cl |
Product Overview
2-[(4-Chlorophenyl)thio]ethyl carbamimidothioate (CAS 959958-01-1), with molecular formula C9H11ClN2S2 and molecular weight 246.01 g/mol. IUPAC: 2-(4-chlorophenyl)sulfanylethyl carbamimidothioate.
Chemical Property Profile of 2-[(4-Chlorophenyl)thio]ethyl carbamimidothioate
Property Insights of 2-[(4-Chlorophenyl)thio]ethyl carbamimidothioate
The XLogP value of 3.05877 indicates that 2-[(4-Chlorophenyl)thio]ethyl carbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.87 Ų, 2-[(4-Chlorophenyl)thio]ethyl carbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Chlorophenyl)thio]ethyl carbamimidothioate 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 2-[(4-Chlorophenyl)thio]ethyl carbamimidothioate?
The CAS number of 2-[(4-Chlorophenyl)thio]ethyl carbamimidothioate is 959958-01-1.
What is the molecular formula of 2-[(4-Chlorophenyl)thio]ethyl carbamimidothioate?
The molecular formula of 2-[(4-Chlorophenyl)thio]ethyl carbamimidothioate is C9H11ClN2S2.
What is the molecular weight of 2-[(4-Chlorophenyl)thio]ethyl carbamimidothioate?
The molecular weight of 2-[(4-Chlorophenyl)thio]ethyl carbamimidothioate is 246.01 g/mol.
Where can I buy 2-[(4-Chlorophenyl)thio]ethyl carbamimidothioate?
You can request a quote for 2-[(4-Chlorophenyl)thio]ethyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Chlorophenyl)thio]ethyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Chlorophenyl)thio]ethyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.