4,6-dichloro-3H-1,3-benzothiazole-2-thione
TL;DR: 4,6-dichloro-3H-1,3-benzothiazole-2-thione (CAS 1849-72-5) is a chemical compound with molecular formula C7H3Cl2NS2 and molecular weight 234.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dichloro-3H-1,3-benzothiazole-2-thione
Also Known As: 4,6-dichloro-3H-1,3-benzothiazole-2-thione, 4,6-dichloro-3H-benzothiazole-2-thione, 4,6-Dichloro-1,3-benzothiazole-2(3H)-thione
| Molecular Formula | C7H3Cl2NS2 |
|---|---|
| Molecular Weight | 234.91 g/mol |
| LogP | 4.26569 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 234.9084 |
| Heavy Atoms | 12 |
| Complexity | 485.6023 |
Chemical Identifiers
| CAS Number | 1849-72-5 |
|---|---|
| SMILES | C1=C(C=C(C2=C1SC(=S)N2)Cl)Cl |
Product Overview
4,6-dichloro-3H-1,3-benzothiazole-2-thione (CAS 1849-72-5), with molecular formula C7H3Cl2NS2 and molecular weight 234.91 g/mol. IUPAC: 4,6-dichloro-3H-1,3-benzothiazole-2-thione.
Chemical Property Profile of 4,6-dichloro-3H-1,3-benzothiazole-2-thione
Property Insights of 4,6-dichloro-3H-1,3-benzothiazole-2-thione
The XLogP value of 4.26569 indicates that 4,6-dichloro-3H-1,3-benzothiazole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.79 Ų, 4,6-dichloro-3H-1,3-benzothiazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-dichloro-3H-1,3-benzothiazole-2-thione has 1 hydrogen bond donor(s) and 2 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 4,6-dichloro-3H-1,3-benzothiazole-2-thione?
The CAS number of 4,6-dichloro-3H-1,3-benzothiazole-2-thione is 1849-72-5.
What is the molecular formula of 4,6-dichloro-3H-1,3-benzothiazole-2-thione?
The molecular formula of 4,6-dichloro-3H-1,3-benzothiazole-2-thione is C7H3Cl2NS2.
What is the molecular weight of 4,6-dichloro-3H-1,3-benzothiazole-2-thione?
The molecular weight of 4,6-dichloro-3H-1,3-benzothiazole-2-thione is 234.91 g/mol.
Where can I buy 4,6-dichloro-3H-1,3-benzothiazole-2-thione?
You can request a quote for 4,6-dichloro-3H-1,3-benzothiazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-dichloro-3H-1,3-benzothiazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 4,6-dichloro-3H-1,3-benzothiazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.