2-Acetyl-5-chloro-thiophene thiosemicarbazone
TL;DR: 2-Acetyl-5-chloro-thiophene thiosemicarbazone (CAS 79155-44-5) is a chemical compound with molecular formula C7H8ClN3S2 and molecular weight 232.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(5-chlorothiophen-2-yl)ethylideneamino]thiourea
Also Known As: 2-acetyl-5-chloro-thiophene thiosemicarbazone, [1-(5-chlorothiophen-2-yl)ethylideneamino]thiourea, [(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]thiourea
| Molecular Formula | C7H8ClN3S2 |
|---|---|
| Molecular Weight | 232.98 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.98482 |
| Heavy Atoms | 13 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 79155-44-5 |
|---|---|
| SMILES | CC(=NNC(=S)N)C1=CC=C(S1)Cl |
| InChIKey | APCFEGJUKJTYCB-UHFFFAOYSA-N |
Product Overview
2-Acetyl-5-chloro-thiophene thiosemicarbazone (CAS 79155-44-5), with molecular formula C7H8ClN3S2 and molecular weight 232.98 g/mol. IUPAC: [1-(5-chlorothiophen-2-yl)ethylideneamino]thiourea.
Chemical Property Profile of 2-Acetyl-5-chloro-thiophene thiosemicarbazone
Property Insights of 2-Acetyl-5-chloro-thiophene thiosemicarbazone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-5-chloro-thiophene thiosemicarbazone. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetyl-5-chloro-thiophene thiosemicarbazone. Following Lipinski's Rule of Five, 2-Acetyl-5-chloro-thiophene thiosemicarbazone has 2 hydrogen bond donor(s) and 3 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-Acetyl-5-chloro-thiophene thiosemicarbazone?
The CAS number of 2-Acetyl-5-chloro-thiophene thiosemicarbazone is 79155-44-5.
What is the molecular formula of 2-Acetyl-5-chloro-thiophene thiosemicarbazone?
The molecular formula of 2-Acetyl-5-chloro-thiophene thiosemicarbazone is C7H8ClN3S2.
What is the molecular weight of 2-Acetyl-5-chloro-thiophene thiosemicarbazone?
The molecular weight of 2-Acetyl-5-chloro-thiophene thiosemicarbazone is 232.98 g/mol.
Where can I buy 2-Acetyl-5-chloro-thiophene thiosemicarbazone?
You can request a quote for 2-Acetyl-5-chloro-thiophene thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-5-chloro-thiophene thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-5-chloro-thiophene thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.