3-(Difluoromethyl)-2,3-dihydro-1,3-benzothiazole-2-thione
TL;DR: 3-(Difluoromethyl)-2,3-dihydro-1,3-benzothiazole-2-thione (CAS 358365-85-2) is a chemical compound with molecular formula C8H5F2NS2 and molecular weight 216.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(difluoromethyl)-1,3-benzothiazole-2-thione
Also Known As: 3-(difluoromethyl)-2,3-dihydro-1,3-benzothiazole-2-thione, 3-(difluoromethyl)-1,3-benzothiazole-2-thione, 3-(difluoromethyl)benzo[d]thiazole-2(3H)-thione, 3-(Difluoromethyl)benzothiazole-2(3H)-thione, 3-DIFLUOROMETHYLBENZOTHIAZOLE-2-THIONE
| Molecular Formula | C8H5F2NS2 |
|---|---|
| Molecular Weight | 216.98 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 60.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.98315 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 358365-85-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=S)S2)C(F)F |
| InChIKey | UOEQXAAYIUYWHI-UHFFFAOYSA-N |
Product Overview
3-(Difluoromethyl)-2,3-dihydro-1,3-benzothiazole-2-thione (CAS 358365-85-2), with molecular formula C8H5F2NS2 and molecular weight 216.98 g/mol. IUPAC: 3-(difluoromethyl)-1,3-benzothiazole-2-thione.
Chemical Property Profile of 3-(Difluoromethyl)-2,3-dihydro-1,3-benzothiazole-2-thione
Property Insights of 3-(Difluoromethyl)-2,3-dihydro-1,3-benzothiazole-2-thione
The XLogP value of 3.4 indicates that 3-(Difluoromethyl)-2,3-dihydro-1,3-benzothiazole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Difluoromethyl)-2,3-dihydro-1,3-benzothiazole-2-thione. Following Lipinski's Rule of Five, 3-(Difluoromethyl)-2,3-dihydro-1,3-benzothiazole-2-thione has 0 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-(Difluoromethyl)-2,3-dihydro-1,3-benzothiazole-2-thione?
The CAS number of 3-(Difluoromethyl)-2,3-dihydro-1,3-benzothiazole-2-thione is 358365-85-2.
What is the molecular formula of 3-(Difluoromethyl)-2,3-dihydro-1,3-benzothiazole-2-thione?
The molecular formula of 3-(Difluoromethyl)-2,3-dihydro-1,3-benzothiazole-2-thione is C8H5F2NS2.
What is the molecular weight of 3-(Difluoromethyl)-2,3-dihydro-1,3-benzothiazole-2-thione?
The molecular weight of 3-(Difluoromethyl)-2,3-dihydro-1,3-benzothiazole-2-thione is 216.98 g/mol.
Where can I buy 3-(Difluoromethyl)-2,3-dihydro-1,3-benzothiazole-2-thione?
You can request a quote for 3-(Difluoromethyl)-2,3-dihydro-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 3-(Difluoromethyl)-2,3-dihydro-1,3-benzothiazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(Difluoromethyl)-2,3-dihydro-1,3-benzothiazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.