3-(6-Methoxy-1,3-benzothiazol-2-yl)-1,1-dimethylthiourea
TL;DR: 3-(6-Methoxy-1,3-benzothiazol-2-yl)-1,1-dimethylthiourea (CAS 827001-91-2) is a chemical compound with molecular formula C11H13N3OS2 and molecular weight 267.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-methoxy-1,3-benzothiazol-2-yl)-1,1-dimethylthiourea
Also Known As: 3-(6-methoxy-1,3-benzothiazol-2-yl)-1,1-dimethylthiourea, 3-(6-Methoxy-benzothiazol-2-yl)-1,1-dimethyl-thiourea, 3-(6-methoxybenzo[d]thiazol-2-yl)-1,1-dimethylthiourea, 3-(6-methoxy-1,3-benzothiazol-2-yl)-1,1-dimethyl-thiourea, (dimethylamino)[(6-methoxybenzothiazol-2-yl)amino]methane-1-thione
| Molecular Formula | C11H13N3OS2 |
|---|---|
| Molecular Weight | 267.05 g/mol |
| LogP | 2.5633 |
| Topological Polar Surface Area | 37.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.05002 |
| Heavy Atoms | 17 |
| Complexity | 550.64014 |
Chemical Identifiers
| CAS Number | 827001-91-2 |
|---|---|
| SMILES | CN(C)C(=S)NC1=NC2=C(S1)C=C(C=C2)OC |
Product Overview
3-(6-Methoxy-1,3-benzothiazol-2-yl)-1,1-dimethylthiourea (CAS 827001-91-2), with molecular formula C11H13N3OS2 and molecular weight 267.05 g/mol. IUPAC: 3-(6-methoxy-1,3-benzothiazol-2-yl)-1,1-dimethylthiourea.
Chemical Property Profile of 3-(6-Methoxy-1,3-benzothiazol-2-yl)-1,1-dimethylthiourea
Property Insights of 3-(6-Methoxy-1,3-benzothiazol-2-yl)-1,1-dimethylthiourea
The XLogP value of 2.5633 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(6-Methoxy-1,3-benzothiazol-2-yl)-1,1-dimethylthiourea. With a topological polar surface area (TPSA) of 37.39 Ų, 3-(6-Methoxy-1,3-benzothiazol-2-yl)-1,1-dimethylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(6-Methoxy-1,3-benzothiazol-2-yl)-1,1-dimethylthiourea has 1 hydrogen bond donor(s) and 4 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 3-(6-Methoxy-1,3-benzothiazol-2-yl)-1,1-dimethylthiourea?
The CAS number of 3-(6-Methoxy-1,3-benzothiazol-2-yl)-1,1-dimethylthiourea is 827001-91-2.
What is the molecular formula of 3-(6-Methoxy-1,3-benzothiazol-2-yl)-1,1-dimethylthiourea?
The molecular formula of 3-(6-Methoxy-1,3-benzothiazol-2-yl)-1,1-dimethylthiourea is C11H13N3OS2.
What is the molecular weight of 3-(6-Methoxy-1,3-benzothiazol-2-yl)-1,1-dimethylthiourea?
The molecular weight of 3-(6-Methoxy-1,3-benzothiazol-2-yl)-1,1-dimethylthiourea is 267.05 g/mol.
Where can I buy 3-(6-Methoxy-1,3-benzothiazol-2-yl)-1,1-dimethylthiourea?
You can request a quote for 3-(6-Methoxy-1,3-benzothiazol-2-yl)-1,1-dimethylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6-Methoxy-1,3-benzothiazol-2-yl)-1,1-dimethylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-Methoxy-1,3-benzothiazol-2-yl)-1,1-dimethylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.