1-Benzothiophen-3-ylmethyl carbamimidothioate
TL;DR: 1-Benzothiophen-3-ylmethyl carbamimidothioate (CAS 50779-68-5) is a chemical compound with molecular formula C10H10N2S2 and molecular weight 222.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzothiophen-3-ylmethyl carbamimidothioate
Also Known As: 1-benzothiophen-3-ylmethyl carbamimidothioate, Carbamimidothioic acid, benzo[b]thien-3-ylmethyl ester
| Molecular Formula | C10H10N2S2 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 3.02797 |
| Topological Polar Surface Area | 49.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.02853 |
| Heavy Atoms | 14 |
| Complexity | 461.84488 |
Chemical Identifiers
| CAS Number | 50779-68-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CS2)CSC(=N)N |
Product Overview
1-Benzothiophen-3-ylmethyl carbamimidothioate (CAS 50779-68-5), with molecular formula C10H10N2S2 and molecular weight 222.03 g/mol. IUPAC: 1-benzothiophen-3-ylmethyl carbamimidothioate.
Chemical Property Profile of 1-Benzothiophen-3-ylmethyl carbamimidothioate
Property Insights of 1-Benzothiophen-3-ylmethyl carbamimidothioate
The XLogP value of 3.02797 indicates that 1-Benzothiophen-3-ylmethyl 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, 1-Benzothiophen-3-ylmethyl carbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzothiophen-3-ylmethyl 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 1-Benzothiophen-3-ylmethyl carbamimidothioate?
The CAS number of 1-Benzothiophen-3-ylmethyl carbamimidothioate is 50779-68-5.
What is the molecular formula of 1-Benzothiophen-3-ylmethyl carbamimidothioate?
The molecular formula of 1-Benzothiophen-3-ylmethyl carbamimidothioate is C10H10N2S2.
What is the molecular weight of 1-Benzothiophen-3-ylmethyl carbamimidothioate?
The molecular weight of 1-Benzothiophen-3-ylmethyl carbamimidothioate is 222.03 g/mol.
Where can I buy 1-Benzothiophen-3-ylmethyl carbamimidothioate?
You can request a quote for 1-Benzothiophen-3-ylmethyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzothiophen-3-ylmethyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzothiophen-3-ylmethyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.