1-ethyl-3-(1H-pyrrol-2-ylmethylideneamino)thiourea
TL;DR: 1-ethyl-3-(1H-pyrrol-2-ylmethylideneamino)thiourea (CAS 16431-48-4) is a chemical compound with molecular formula C8H12N4S and molecular weight 196.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-(1H-pyrrol-2-ylmethylideneamino)thiourea
Also Known As: 3-ethyl-1-[(1H-pyrrol-2-ylmethylidene)amino]thiourea, 1-ethyl-3-[[(E)-pyrrol-2-ylidenemethyl]amino]thiourea
| Molecular Formula | C8H12N4S |
|---|---|
| Molecular Weight | 196.08 g/mol |
| LogP | 0.8326 |
| Topological Polar Surface Area | 52.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.07826 |
| Heavy Atoms | 13 |
| Complexity | 278.34396 |
Chemical Identifiers
| CAS Number | 16431-48-4 |
|---|---|
| SMILES | CCNC(=S)NN=CC1=CC=CN1 |
Product Overview
1-ethyl-3-(1H-pyrrol-2-ylmethylideneamino)thiourea (CAS 16431-48-4), with molecular formula C8H12N4S and molecular weight 196.08 g/mol. IUPAC: 1-ethyl-3-(1H-pyrrol-2-ylmethylideneamino)thiourea.
Chemical Property Profile of 1-ethyl-3-(1H-pyrrol-2-ylmethylideneamino)thiourea
Property Insights of 1-ethyl-3-(1H-pyrrol-2-ylmethylideneamino)thiourea
The XLogP value of 0.8326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-ethyl-3-(1H-pyrrol-2-ylmethylideneamino)thiourea. With a topological polar surface area (TPSA) of 52.21 Ų, 1-ethyl-3-(1H-pyrrol-2-ylmethylideneamino)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-ethyl-3-(1H-pyrrol-2-ylmethylideneamino)thiourea has 3 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 1-ethyl-3-(1H-pyrrol-2-ylmethylideneamino)thiourea?
The CAS number of 1-ethyl-3-(1H-pyrrol-2-ylmethylideneamino)thiourea is 16431-48-4.
What is the molecular formula of 1-ethyl-3-(1H-pyrrol-2-ylmethylideneamino)thiourea?
The molecular formula of 1-ethyl-3-(1H-pyrrol-2-ylmethylideneamino)thiourea is C8H12N4S.
What is the molecular weight of 1-ethyl-3-(1H-pyrrol-2-ylmethylideneamino)thiourea?
The molecular weight of 1-ethyl-3-(1H-pyrrol-2-ylmethylideneamino)thiourea is 196.08 g/mol.
Where can I buy 1-ethyl-3-(1H-pyrrol-2-ylmethylideneamino)thiourea?
You can request a quote for 1-ethyl-3-(1H-pyrrol-2-ylmethylideneamino)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-ethyl-3-(1H-pyrrol-2-ylmethylideneamino)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-3-(1H-pyrrol-2-ylmethylideneamino)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.