3-(1,3-Benzothiazol-2-yl)-1,1-dimethylthiourea
TL;DR: 3-(1,3-Benzothiazol-2-yl)-1,1-dimethylthiourea (CAS 6423-79-6) is a chemical compound with molecular formula C10H11N3S2 and molecular weight 237.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-yl)-1,1-dimethylthiourea
Also Known As: 3-(1,3-benzothiazol-2-yl)-1,1-dimethylthiourea, SDCCGMLS-0065341.P001, N'-1,3-benzothiazol-2-yl-N,N-dimethylthiourea, J2.118.377F, 3-(benzo[d]thiazol-2-yl)-1,1-dimethylthiourea
| Molecular Formula | C10H11N3S2 |
|---|---|
| Molecular Weight | 237.04 g/mol |
| LogP | 2.5547 |
| Topological Polar Surface Area | 28.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.03944 |
| Heavy Atoms | 15 |
| Complexity | 457.12808 |
Chemical Identifiers
| CAS Number | 6423-79-6 |
|---|---|
| SMILES | CN(C)C(=S)NC1=NC2=CC=CC=C2S1 |
Product Overview
3-(1,3-Benzothiazol-2-yl)-1,1-dimethylthiourea (CAS 6423-79-6), with molecular formula C10H11N3S2 and molecular weight 237.04 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-1,1-dimethylthiourea.
Chemical Property Profile of 3-(1,3-Benzothiazol-2-yl)-1,1-dimethylthiourea
Property Insights of 3-(1,3-Benzothiazol-2-yl)-1,1-dimethylthiourea
The XLogP value of 2.5547 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Benzothiazol-2-yl)-1,1-dimethylthiourea. With a topological polar surface area (TPSA) of 28.16 Ų, 3-(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-(1,3-Benzothiazol-2-yl)-1,1-dimethylthiourea has 1 hydrogen bond donor(s) and 3 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-(1,3-Benzothiazol-2-yl)-1,1-dimethylthiourea?
The CAS number of 3-(1,3-Benzothiazol-2-yl)-1,1-dimethylthiourea is 6423-79-6.
What is the molecular formula of 3-(1,3-Benzothiazol-2-yl)-1,1-dimethylthiourea?
The molecular formula of 3-(1,3-Benzothiazol-2-yl)-1,1-dimethylthiourea is C10H11N3S2.
What is the molecular weight of 3-(1,3-Benzothiazol-2-yl)-1,1-dimethylthiourea?
The molecular weight of 3-(1,3-Benzothiazol-2-yl)-1,1-dimethylthiourea is 237.04 g/mol.
Where can I buy 3-(1,3-Benzothiazol-2-yl)-1,1-dimethylthiourea?
You can request a quote for 3-(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-(1,3-Benzothiazol-2-yl)-1,1-dimethylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzothiazol-2-yl)-1,1-dimethylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.