1-Carbamothioyl-3-(4-thiophen-2-ylbut-3-en-2-ylidene)thiourea
TL;DR: 1-Carbamothioyl-3-(4-thiophen-2-ylbut-3-en-2-ylidene)thiourea (CAS 6622-81-7) is a chemical compound with molecular formula C10H11N3S3 and molecular weight 269.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-carbamothioyl-3-(4-thiophen-2-ylbut-3-en-2-ylidene)thiourea
Also Known As: 1-carbamothioyl-3-(4-thiophen-2-ylbut-3-en-2-ylidene)thiourea, (3E)-1-carbamothioyl-3-[(E)-4-thiophen-2-ylbut-3-en-2-yliden
| Molecular Formula | C10H11N3S3 |
|---|---|
| Molecular Weight | 269.01 g/mol |
| LogP | 2.3403 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.0115 |
| Heavy Atoms | 16 |
| Complexity | 432.17154 |
Chemical Identifiers
| CAS Number | 6622-81-7 |
|---|---|
| SMILES | CC(=NC(=S)NC(=S)N)C=CC1=CC=CS1 |
Product Overview
1-Carbamothioyl-3-(4-thiophen-2-ylbut-3-en-2-ylidene)thiourea (CAS 6622-81-7), with molecular formula C10H11N3S3 and molecular weight 269.01 g/mol. IUPAC: 1-carbamothioyl-3-(4-thiophen-2-ylbut-3-en-2-ylidene)thiourea.
Chemical Property Profile of 1-Carbamothioyl-3-(4-thiophen-2-ylbut-3-en-2-ylidene)thiourea
Property Insights of 1-Carbamothioyl-3-(4-thiophen-2-ylbut-3-en-2-ylidene)thiourea
The XLogP value of 2.3403 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Carbamothioyl-3-(4-thiophen-2-ylbut-3-en-2-ylidene)thiourea. With a topological polar surface area (TPSA) of 50.41 Ų, 1-Carbamothioyl-3-(4-thiophen-2-ylbut-3-en-2-ylidene)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Carbamothioyl-3-(4-thiophen-2-ylbut-3-en-2-ylidene)thiourea 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-Carbamothioyl-3-(4-thiophen-2-ylbut-3-en-2-ylidene)thiourea?
The CAS number of 1-Carbamothioyl-3-(4-thiophen-2-ylbut-3-en-2-ylidene)thiourea is 6622-81-7.
What is the molecular formula of 1-Carbamothioyl-3-(4-thiophen-2-ylbut-3-en-2-ylidene)thiourea?
The molecular formula of 1-Carbamothioyl-3-(4-thiophen-2-ylbut-3-en-2-ylidene)thiourea is C10H11N3S3.
What is the molecular weight of 1-Carbamothioyl-3-(4-thiophen-2-ylbut-3-en-2-ylidene)thiourea?
The molecular weight of 1-Carbamothioyl-3-(4-thiophen-2-ylbut-3-en-2-ylidene)thiourea is 269.01 g/mol.
Where can I buy 1-Carbamothioyl-3-(4-thiophen-2-ylbut-3-en-2-ylidene)thiourea?
You can request a quote for 1-Carbamothioyl-3-(4-thiophen-2-ylbut-3-en-2-ylidene)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Carbamothioyl-3-(4-thiophen-2-ylbut-3-en-2-ylidene)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Carbamothioyl-3-(4-thiophen-2-ylbut-3-en-2-ylidene)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.