![1-Carbamothioyl-3-[4-(2-chlorophenyl)but-3-en-2-ylidene]thiourea structure](/static/products/6622/6622-83-9.webp)
1-Carbamothioyl-3-[4-(2-chlorophenyl)but-3-en-2-ylidene]thiourea
TL;DR: 1-Carbamothioyl-3-[4-(2-chlorophenyl)but-3-en-2-ylidene]thiourea (CAS 6622-83-9) is a chemical compound with molecular formula C12H12ClN3S2 and molecular weight 297.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-carbamothioyl-3-[4-(2-chlorophenyl)but-3-en-2-ylidene]thiourea
Also Known As: NCIOpen2_002068, (3Z)-1-carbamothioyl-3-[(E)-4-(2-chlorophenyl)but-3-en-2-yli, 1-carbamothioyl-3-[4-(2-chlorophenyl)but-3-en-2-ylidene]thiourea
| Molecular Formula | C12H12ClN3S2 |
|---|---|
| Molecular Weight | 297.02 g/mol |
| LogP | 2.9322 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.0161 |
| Heavy Atoms | 18 |
| Complexity | 523.8087 |
Chemical Identifiers
| CAS Number | 6622-83-9 |
|---|---|
| SMILES | CC(=NC(=S)NC(=S)N)C=CC1=CC=CC=C1Cl |
Product Overview
1-Carbamothioyl-3-[4-(2-chlorophenyl)but-3-en-2-ylidene]thiourea (CAS 6622-83-9), with molecular formula C12H12ClN3S2 and molecular weight 297.02 g/mol. IUPAC: 1-carbamothioyl-3-[4-(2-chlorophenyl)but-3-en-2-ylidene]thiourea.
Chemical Property Profile of 1-Carbamothioyl-3-[4-(2-chlorophenyl)but-3-en-2-ylidene]thiourea
Property Insights of 1-Carbamothioyl-3-[4-(2-chlorophenyl)but-3-en-2-ylidene]thiourea
The XLogP value of 2.9322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Carbamothioyl-3-[4-(2-chlorophenyl)but-3-en-2-ylidene]thiourea. With a topological polar surface area (TPSA) of 50.41 Ų, 1-Carbamothioyl-3-[4-(2-chlorophenyl)but-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-(2-chlorophenyl)but-3-en-2-ylidene]thiourea has 2 hydrogen bond donor(s) and 2 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-(2-chlorophenyl)but-3-en-2-ylidene]thiourea?
The CAS number of 1-Carbamothioyl-3-[4-(2-chlorophenyl)but-3-en-2-ylidene]thiourea is 6622-83-9.
What is the molecular formula of 1-Carbamothioyl-3-[4-(2-chlorophenyl)but-3-en-2-ylidene]thiourea?
The molecular formula of 1-Carbamothioyl-3-[4-(2-chlorophenyl)but-3-en-2-ylidene]thiourea is C12H12ClN3S2.
What is the molecular weight of 1-Carbamothioyl-3-[4-(2-chlorophenyl)but-3-en-2-ylidene]thiourea?
The molecular weight of 1-Carbamothioyl-3-[4-(2-chlorophenyl)but-3-en-2-ylidene]thiourea is 297.02 g/mol.
Where can I buy 1-Carbamothioyl-3-[4-(2-chlorophenyl)but-3-en-2-ylidene]thiourea?
You can request a quote for 1-Carbamothioyl-3-[4-(2-chlorophenyl)but-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-(2-chlorophenyl)but-3-en-2-ylidene]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Carbamothioyl-3-[4-(2-chlorophenyl)but-3-en-2-ylidene]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.