4-(Ethylamino)benzenecarbothioamide
TL;DR: 4-(Ethylamino)benzenecarbothioamide (CAS 4714-70-9) is a chemical compound with molecular formula C9H12N2S and molecular weight 180.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(ethylamino)benzenecarbothioamide
Also Known As: 4-(ethylamino)benzene-1-carbothioamide, 4-(ethylamino)benzenecarbothioamide, 4- Ethylamino-benzothioamid, 4-Ethylamino-thiobenzamide, RefChem:289000
| Molecular Formula | C9H12N2S |
|---|---|
| Molecular Weight | 180.07 g/mol |
| LogP | 1.7526 |
| Topological Polar Surface Area | 38.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.07211 |
| Heavy Atoms | 12 |
| Complexity | 266.36197 |
Chemical Identifiers
| CAS Number | 4714-70-9 |
|---|---|
| SMILES | CCNC1=CC=C(C=C1)C(=S)N |
Product Overview
4-(Ethylamino)benzenecarbothioamide (CAS 4714-70-9), with molecular formula C9H12N2S and molecular weight 180.07 g/mol. IUPAC: 4-(ethylamino)benzenecarbothioamide.
Chemical Property Profile of 4-(Ethylamino)benzenecarbothioamide
Property Insights of 4-(Ethylamino)benzenecarbothioamide
The XLogP value of 1.7526 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Ethylamino)benzenecarbothioamide. With a topological polar surface area (TPSA) of 38.05 Ų, 4-(Ethylamino)benzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Ethylamino)benzenecarbothioamide 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 4-(Ethylamino)benzenecarbothioamide?
The CAS number of 4-(Ethylamino)benzenecarbothioamide is 4714-70-9.
What is the molecular formula of 4-(Ethylamino)benzenecarbothioamide?
The molecular formula of 4-(Ethylamino)benzenecarbothioamide is C9H12N2S.
What is the molecular weight of 4-(Ethylamino)benzenecarbothioamide?
The molecular weight of 4-(Ethylamino)benzenecarbothioamide is 180.07 g/mol.
Where can I buy 4-(Ethylamino)benzenecarbothioamide?
You can request a quote for 4-(Ethylamino)benzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Ethylamino)benzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(Ethylamino)benzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.