4-(Butylamino)benzenecarbothioamide
TL;DR: 4-(Butylamino)benzenecarbothioamide (CAS 4714-73-2) is a chemical compound with molecular formula C11H16N2S and molecular weight 208.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(butylamino)benzenecarbothioamide
Also Known As: 4-Butylamino-benzothioamid, 4-Butylamino-thiobenzamide, 4-(butylamino)benzenecarbothioamide
| Molecular Formula | C11H16N2S |
|---|---|
| Molecular Weight | 208.10 g/mol |
| LogP | 2.5328 |
| Topological Polar Surface Area | 38.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10342 |
| Heavy Atoms | 14 |
| Complexity | 292.66077 |
Chemical Identifiers
| CAS Number | 4714-73-2 |
|---|---|
| SMILES | CCCCNC1=CC=C(C=C1)C(=S)N |
Product Overview
4-(Butylamino)benzenecarbothioamide (CAS 4714-73-2), with molecular formula C11H16N2S and molecular weight 208.10 g/mol. IUPAC: 4-(butylamino)benzenecarbothioamide.
Chemical Property Profile of 4-(Butylamino)benzenecarbothioamide
Property Insights of 4-(Butylamino)benzenecarbothioamide
The XLogP value of 2.5328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Butylamino)benzenecarbothioamide. With a topological polar surface area (TPSA) of 38.05 Ų, 4-(Butylamino)benzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Butylamino)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-(Butylamino)benzenecarbothioamide?
The CAS number of 4-(Butylamino)benzenecarbothioamide is 4714-73-2.
What is the molecular formula of 4-(Butylamino)benzenecarbothioamide?
The molecular formula of 4-(Butylamino)benzenecarbothioamide is C11H16N2S.
What is the molecular weight of 4-(Butylamino)benzenecarbothioamide?
The molecular weight of 4-(Butylamino)benzenecarbothioamide is 208.10 g/mol.
Where can I buy 4-(Butylamino)benzenecarbothioamide?
You can request a quote for 4-(Butylamino)benzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Butylamino)benzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(Butylamino)benzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.