4-Butyl-1-(1-(2-pyridyl)ethylidene)-3-thiosemicarbazide
TL;DR: 4-Butyl-1-(1-(2-pyridyl)ethylidene)-3-thiosemicarbazide (CAS 75013-66-0) is a chemical compound with molecular formula C12H18N4S and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea
Also Known As: 4-Butyl-1-(1-(2-pyridyl)ethylidene)-3-thiosemicarbazide, 1-butyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea, 2-Acetylpyridine 4-n-butylthiosemicarbazone, KETONE, METHYL 2-PYRIDYL, 4-BUTYL-3-THIOSEMICARBAZONE, Semicarbazide, 4-butyl-1-(1-(2-pyridyl)ethylidene)-3-thio-
| Molecular Formula | C12H18N4S |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 2.0698 |
| Topological Polar Surface Area | 49.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.12521 |
| Heavy Atoms | 17 |
| Complexity | 375.35184 |
Chemical Identifiers
| CAS Number | 75013-66-0 |
|---|---|
| SMILES | CCCCNC(=S)N/N=C(\C)/C1=CC=CC=N1 |
Product Overview
4-Butyl-1-(1-(2-pyridyl)ethylidene)-3-thiosemicarbazide (CAS 75013-66-0), with molecular formula C12H18N4S and molecular weight 250.13 g/mol. IUPAC: 1-butyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea.
Chemical Property Profile of 4-Butyl-1-(1-(2-pyridyl)ethylidene)-3-thiosemicarbazide
Property Insights of 4-Butyl-1-(1-(2-pyridyl)ethylidene)-3-thiosemicarbazide
The XLogP value of 2.0698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Butyl-1-(1-(2-pyridyl)ethylidene)-3-thiosemicarbazide. With a topological polar surface area (TPSA) of 49.31 Ų, 4-Butyl-1-(1-(2-pyridyl)ethylidene)-3-thiosemicarbazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Butyl-1-(1-(2-pyridyl)ethylidene)-3-thiosemicarbazide 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 4-Butyl-1-(1-(2-pyridyl)ethylidene)-3-thiosemicarbazide?
The CAS number of 4-Butyl-1-(1-(2-pyridyl)ethylidene)-3-thiosemicarbazide is 75013-66-0.
What is the molecular formula of 4-Butyl-1-(1-(2-pyridyl)ethylidene)-3-thiosemicarbazide?
The molecular formula of 4-Butyl-1-(1-(2-pyridyl)ethylidene)-3-thiosemicarbazide is C12H18N4S.
What is the molecular weight of 4-Butyl-1-(1-(2-pyridyl)ethylidene)-3-thiosemicarbazide?
The molecular weight of 4-Butyl-1-(1-(2-pyridyl)ethylidene)-3-thiosemicarbazide is 250.13 g/mol.
Where can I buy 4-Butyl-1-(1-(2-pyridyl)ethylidene)-3-thiosemicarbazide?
You can request a quote for 4-Butyl-1-(1-(2-pyridyl)ethylidene)-3-thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butyl-1-(1-(2-pyridyl)ethylidene)-3-thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-Butyl-1-(1-(2-pyridyl)ethylidene)-3-thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.