![1-Butyl-3-[(4-chlorophenyl)carbamothioylamino]thiourea structure](/static/products/125/125908-39-6.webp)
1-Butyl-3-[(4-chlorophenyl)carbamothioylamino]thiourea
TL;DR: 1-Butyl-3-[(4-chlorophenyl)carbamothioylamino]thiourea (CAS 125908-39-6) is a chemical compound with molecular formula C12H17ClN4S2 and molecular weight 316.05832 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-butyl-3-[(4-chlorophenyl)carbamothioylamino]thiourea
Also Known As: 1-butyl-6-(4'-chlorophenyl)-2,5-dithiobiurea, 1-butyl-3-[(4-chlorophenyl)carbamothioylamino]thiourea
Technical Specifications
| Molecular Formula | C12H17ClN4S2 |
| Molecular Weight | 316.05832 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.05832 Da |
| Heavy Atoms | 19 |
| Complexity | 293.0 |
| SMILES | CCCCNC(=S)NNC(=S)NC1=CC=C(C=C1)Cl |
| InChIKey | MESUMOWMGZUBHX-UHFFFAOYSA-N |
Chemical Property Profile of 1-Butyl-3-[(4-chlorophenyl)carbamothioylamino]thiourea
Property Insights of 1-Butyl-3-[(4-chlorophenyl)carbamothioylamino]thiourea
The XLogP value of 3.3 indicates that 1-Butyl-3-[(4-chlorophenyl)carbamothioylamino]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butyl-3-[(4-chlorophenyl)carbamothioylamino]thiourea. Following Lipinski's Rule of Five, 1-Butyl-3-[(4-chlorophenyl)carbamothioylamino]thiourea has 4 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Butyl-3-[(4-chlorophenyl)carbamothioylamino]thiourea?
The CAS number of 1-Butyl-3-[(4-chlorophenyl)carbamothioylamino]thiourea is 125908-39-6.
What is the molecular formula of 1-Butyl-3-[(4-chlorophenyl)carbamothioylamino]thiourea?
The molecular formula of 1-Butyl-3-[(4-chlorophenyl)carbamothioylamino]thiourea is C12H17ClN4S2.
What is the molecular weight of 1-Butyl-3-[(4-chlorophenyl)carbamothioylamino]thiourea?
The molecular weight of 1-Butyl-3-[(4-chlorophenyl)carbamothioylamino]thiourea is 316.05832 g/mol.
Where can I buy 1-Butyl-3-[(4-chlorophenyl)carbamothioylamino]thiourea?
You can request a quote for 1-Butyl-3-[(4-chlorophenyl)carbamothioylamino]thiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Butyl-3-[(4-chlorophenyl)carbamothioylamino]thiourea?
Yes, CoreyChem provides custom synthesis services for 1-Butyl-3-[(4-chlorophenyl)carbamothioylamino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.