1-Benzyl-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea
TL;DR: 1-Benzyl-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea (CAS 34990-05-1) is a chemical compound with molecular formula C16H15N3OS2 and molecular weight 329.06564 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea
Also Known As: 1-benzyl-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea, 1-benzyl-3-(6-methoxybenzo[d]thiazol-2-yl)thiourea, [(6-methoxybenzothiazol-2-yl)amino][benzylamino]methane-1-thione, 1-benzyl-3-[(2Z)-6-methoxy-1,3-benzothiazol-2(3H)-ylidene]thiourea
Technical Specifications
| Molecular Formula | C16H15N3OS2 |
| Molecular Weight | 329.06564 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.06564 Da |
| Heavy Atoms | 22 |
| Complexity | 376.0 |
| SMILES | COC1=CC2=C(C=C1)N=C(S2)NC(=S)NCC3=CC=CC=C3 |
| InChIKey | FEGYLINBJRVHTB-UHFFFAOYSA-N |
Chemical Property Profile of 1-Benzyl-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea
Property Insights of 1-Benzyl-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea
The XLogP value of 3.8 indicates that 1-Benzyl-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea. Following Lipinski's Rule of Five, 1-Benzyl-3-(6-methoxy-1,3-benzothiazol-2-yl)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-Benzyl-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea?
The CAS number of 1-Benzyl-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea is 34990-05-1.
What is the molecular formula of 1-Benzyl-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea?
The molecular formula of 1-Benzyl-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea is C16H15N3OS2.
What is the molecular weight of 1-Benzyl-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea?
The molecular weight of 1-Benzyl-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea is 329.06564 g/mol.
Where can I buy 1-Benzyl-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea?
You can request a quote for 1-Benzyl-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Benzyl-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea?
Yes, CoreyChem provides custom synthesis services for 1-Benzyl-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.