2-Amino-4-chlorobenzothioamide
TL;DR: 2-Amino-4-chlorobenzothioamide (CAS 2586-93-8) is a chemical compound with molecular formula C7H7ClN2S and molecular weight 186.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-chlorobenzenecarbothioamide
Also Known As: 2-Amino-4-chlorobenzothioamide, 2-Amino-4-chlorothiobenzamide, Benzenecarbothioamide, 2-amino-4-chloro-, 2-Amino-4-chlorobenzenecarbothioamide, 2-Amino-4-chlorobenzenecarbothioamide #
| Molecular Formula | C7H7ClN2S |
|---|---|
| Molecular Weight | 186.00 g/mol |
| LogP | 1.5564 |
| Topological Polar Surface Area | 52.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.00185 |
| Heavy Atoms | 11 |
| Complexity | 298.4921 |
Chemical Identifiers
| CAS Number | 2586-93-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)N)C(=S)N |
Product Overview
2-Amino-4-chlorobenzothioamide (CAS 2586-93-8), with molecular formula C7H7ClN2S and molecular weight 186.00 g/mol. IUPAC: 2-amino-4-chlorobenzenecarbothioamide.
Chemical Property Profile of 2-Amino-4-chlorobenzothioamide
Property Insights of 2-Amino-4-chlorobenzothioamide
The XLogP value of 1.5564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-4-chlorobenzothioamide. With a topological polar surface area (TPSA) of 52.04 Ų, 2-Amino-4-chlorobenzothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-4-chlorobenzothioamide has 2 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 2-Amino-4-chlorobenzothioamide?
The CAS number of 2-Amino-4-chlorobenzothioamide is 2586-93-8.
What is the molecular formula of 2-Amino-4-chlorobenzothioamide?
The molecular formula of 2-Amino-4-chlorobenzothioamide is C7H7ClN2S.
What is the molecular weight of 2-Amino-4-chlorobenzothioamide?
The molecular weight of 2-Amino-4-chlorobenzothioamide is 186.00 g/mol.
Where can I buy 2-Amino-4-chlorobenzothioamide?
You can request a quote for 2-Amino-4-chlorobenzothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4-chlorobenzothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-chlorobenzothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.