2-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide
TL;DR: 2-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide (CAS 36289-41-5) is a chemical compound with molecular formula C9H5ClN2OS3 and molecular weight 287.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide
Also Known As: IFLab1_000372, IDI1_008591, 12K-570S, 2-chloro-N-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)benzamide, 2-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide
| Molecular Formula | C9H5ClN2OS3 |
|---|---|
| Molecular Weight | 287.93 g/mol |
| LogP | 3.83979 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.92526 |
| Heavy Atoms | 16 |
| Complexity | 577.8831 |
Chemical Identifiers
| CAS Number | 36289-41-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC2=NC(=S)SS2)Cl |
Product Overview
2-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide (CAS 36289-41-5), with molecular formula C9H5ClN2OS3 and molecular weight 287.93 g/mol. IUPAC: 2-chloro-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide.
Chemical Property Profile of 2-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide
Property Insights of 2-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide
The XLogP value of 3.83979 indicates that 2-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, 2-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide has 1 hydrogen bond donor(s) and 5 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 2-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide?
The CAS number of 2-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide is 36289-41-5.
What is the molecular formula of 2-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide?
The molecular formula of 2-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide is C9H5ClN2OS3.
What is the molecular weight of 2-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide?
The molecular weight of 2-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide is 287.93 g/mol.
Where can I buy 2-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide?
You can request a quote for 2-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.