Benzenecarbothioamide, 4-(ethylthio)-
TL;DR: Benzenecarbothioamide, 4-(ethylthio)- (CAS 53550-94-0) is a chemical compound with molecular formula C9H11NS2 and molecular weight 197.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethylsulfanylbenzenecarbothioamide
Also Known As: Benzenecarbothioamide, 4-(ethylthio)-, 4-ethylsulfanylbenzenecarbothioamide, 4-(Ethylsulfanyl)benzene-1-carbothioamide
| Molecular Formula | C9H11NS2 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 2.4328 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.0333 |
| Heavy Atoms | 12 |
| Complexity | 266.36197 |
Chemical Identifiers
| CAS Number | 53550-94-0 |
|---|---|
| SMILES | CCSC1=CC=C(C=C1)C(=S)N |
Product Overview
Benzenecarbothioamide, 4-(ethylthio)- (CAS 53550-94-0), with molecular formula C9H11NS2 and molecular weight 197.03 g/mol. IUPAC: 4-ethylsulfanylbenzenecarbothioamide.
Chemical Property Profile of Benzenecarbothioamide, 4-(ethylthio)-
Property Insights of Benzenecarbothioamide, 4-(ethylthio)-
The XLogP value of 2.4328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenecarbothioamide, 4-(ethylthio)-. With a topological polar surface area (TPSA) of 26.02 Ų, Benzenecarbothioamide, 4-(ethylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbothioamide, 4-(ethylthio)- has 1 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 Benzenecarbothioamide, 4-(ethylthio)-?
The CAS number of Benzenecarbothioamide, 4-(ethylthio)- is 53550-94-0.
What is the molecular formula of Benzenecarbothioamide, 4-(ethylthio)-?
The molecular formula of Benzenecarbothioamide, 4-(ethylthio)- is C9H11NS2.
What is the molecular weight of Benzenecarbothioamide, 4-(ethylthio)-?
The molecular weight of Benzenecarbothioamide, 4-(ethylthio)- is 197.03 g/mol.
Where can I buy Benzenecarbothioamide, 4-(ethylthio)-?
You can request a quote for Benzenecarbothioamide, 4-(ethylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarbothioamide, 4-(ethylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbothioamide, 4-(ethylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.