3-Aminobenzenecarbothioamide
TL;DR: 3-Aminobenzenecarbothioamide (CAS 78950-36-4) is a chemical compound with molecular formula C7H8N2S and molecular weight 152.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-aminobenzenecarbothioamide
Also Known As: 3-Aminothiobenzamide, 3-aminobenzothioamide, 3-Aminobenzenecarbothioamide, 3-amino Benzthioamide, 3-AMINO-THIOBENZAMIDE
| Molecular Formula | C7H8N2S |
|---|---|
| Molecular Weight | 152.04 g/mol |
| LogP | 0.903 |
| Topological Polar Surface Area | 52.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.04082 |
| Heavy Atoms | 10 |
| Complexity | 257.53796 |
Chemical Identifiers
| CAS Number | 78950-36-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N)C(=S)N |
Product Overview
3-Aminobenzenecarbothioamide (CAS 78950-36-4), with molecular formula C7H8N2S and molecular weight 152.04 g/mol. IUPAC: 3-aminobenzenecarbothioamide.
Chemical Property Profile of 3-Aminobenzenecarbothioamide
Property Insights of 3-Aminobenzenecarbothioamide
The XLogP value of 0.903 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Aminobenzenecarbothioamide. With a topological polar surface area (TPSA) of 52.04 Ų, 3-Aminobenzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Aminobenzenecarbothioamide 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 3-Aminobenzenecarbothioamide?
The CAS number of 3-Aminobenzenecarbothioamide is 78950-36-4.
What is the molecular formula of 3-Aminobenzenecarbothioamide?
The molecular formula of 3-Aminobenzenecarbothioamide is C7H8N2S.
What is the molecular weight of 3-Aminobenzenecarbothioamide?
The molecular weight of 3-Aminobenzenecarbothioamide is 152.04 g/mol.
Where can I buy 3-Aminobenzenecarbothioamide?
You can request a quote for 3-Aminobenzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Aminobenzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Aminobenzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.