1-Benzothiazol-2-yl-3-(4-methyl-benzoyl)-thiourea
TL;DR: 1-Benzothiazol-2-yl-3-(4-methyl-benzoyl)-thiourea (CAS 131120-12-2) is a chemical compound with molecular formula C16H13N3OS2 and molecular weight 327.05002 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1,3-benzothiazol-2-ylcarbamothioyl)-4-methylbenzamide
Also Known As: BAS 02722518, 1-Benzothiazol-2-yl-3-(4-methyl-benzoyl)-thiourea, N-(1,3-benzothiazol-2-ylcarbamothioyl)-4-methylbenzamide, 1-(4-methylbenzoyl)-3-(2-benzothiazolyl) thiourea, N-(benzo[d]thiazol-2-ylcarbamothioyl)-4-methylbenzamide
Technical Specifications
| Molecular Formula | C16H13N3OS2 |
| Molecular Weight | 327.05002 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.05002 Da |
| Heavy Atoms | 22 |
| Complexity | 424.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=CC=CC=C3S2 |
| InChIKey | VBJVBDPIAKFNNN-UHFFFAOYSA-N |
Chemical Property Profile of 1-Benzothiazol-2-yl-3-(4-methyl-benzoyl)-thiourea
Property Insights of 1-Benzothiazol-2-yl-3-(4-methyl-benzoyl)-thiourea
The XLogP value of 4.7 indicates that 1-Benzothiazol-2-yl-3-(4-methyl-benzoyl)-thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzothiazol-2-yl-3-(4-methyl-benzoyl)-thiourea. Following Lipinski's Rule of Five, 1-Benzothiazol-2-yl-3-(4-methyl-benzoyl)-thiourea has 2 hydrogen bond donor(s) and 4 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-Benzothiazol-2-yl-3-(4-methyl-benzoyl)-thiourea?
The CAS number of 1-Benzothiazol-2-yl-3-(4-methyl-benzoyl)-thiourea is 131120-12-2.
What is the molecular formula of 1-Benzothiazol-2-yl-3-(4-methyl-benzoyl)-thiourea?
The molecular formula of 1-Benzothiazol-2-yl-3-(4-methyl-benzoyl)-thiourea is C16H13N3OS2.
What is the molecular weight of 1-Benzothiazol-2-yl-3-(4-methyl-benzoyl)-thiourea?
The molecular weight of 1-Benzothiazol-2-yl-3-(4-methyl-benzoyl)-thiourea is 327.05002 g/mol.
Where can I buy 1-Benzothiazol-2-yl-3-(4-methyl-benzoyl)-thiourea?
You can request a quote for 1-Benzothiazol-2-yl-3-(4-methyl-benzoyl)-thiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Benzothiazol-2-yl-3-(4-methyl-benzoyl)-thiourea?
Yes, CoreyChem provides custom synthesis services for 1-Benzothiazol-2-yl-3-(4-methyl-benzoyl)-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.