![1-[2-(Azepan-1-ylimino)propylideneamino]-3-methylthiourea structure](/static/products/403/40398-52-5.png)
1-[2-(Azepan-1-ylimino)propylideneamino]-3-methylthiourea
TL;DR: 1-[2-(Azepan-1-ylimino)propylideneamino]-3-methylthiourea (CAS 40398-52-5) is a chemical compound with molecular formula C11H21N5S and molecular weight 255.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(azepan-1-ylimino)propylideneamino]-3-methylthiourea
Also Known As: 1-[2-(azepan-1-ylimino)propylideneamino]-3-methylthiourea, 1-[(Z)-[(2Z)-2-(azepan-1-ylimino)propylidene]amino]-3-methyl
| Molecular Formula | C11H21N5S |
|---|---|
| Molecular Weight | 255.15 g/mol |
| LogP | 1.318 |
| Topological Polar Surface Area | 52.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.15176 |
| Heavy Atoms | 17 |
| Complexity | 292.2369 |
Chemical Identifiers
| CAS Number | 40398-52-5 |
|---|---|
| SMILES | CC(=NN1CCCCCC1)C=NNC(=S)NC |
Product Overview
1-[2-(Azepan-1-ylimino)propylideneamino]-3-methylthiourea (CAS 40398-52-5), with molecular formula C11H21N5S and molecular weight 255.15 g/mol. IUPAC: 1-[2-(azepan-1-ylimino)propylideneamino]-3-methylthiourea.
Chemical Property Profile of 1-[2-(Azepan-1-ylimino)propylideneamino]-3-methylthiourea
Property Insights of 1-[2-(Azepan-1-ylimino)propylideneamino]-3-methylthiourea
The XLogP value of 1.318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(Azepan-1-ylimino)propylideneamino]-3-methylthiourea. With a topological polar surface area (TPSA) of 52.02 Ų, 1-[2-(Azepan-1-ylimino)propylideneamino]-3-methylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-(Azepan-1-ylimino)propylideneamino]-3-methylthiourea has 2 hydrogen bond donor(s) and 4 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-[2-(Azepan-1-ylimino)propylideneamino]-3-methylthiourea?
The CAS number of 1-[2-(Azepan-1-ylimino)propylideneamino]-3-methylthiourea is 40398-52-5.
What is the molecular formula of 1-[2-(Azepan-1-ylimino)propylideneamino]-3-methylthiourea?
The molecular formula of 1-[2-(Azepan-1-ylimino)propylideneamino]-3-methylthiourea is C11H21N5S.
What is the molecular weight of 1-[2-(Azepan-1-ylimino)propylideneamino]-3-methylthiourea?
The molecular weight of 1-[2-(Azepan-1-ylimino)propylideneamino]-3-methylthiourea is 255.15 g/mol.
Where can I buy 1-[2-(Azepan-1-ylimino)propylideneamino]-3-methylthiourea?
You can request a quote for 1-[2-(Azepan-1-ylimino)propylideneamino]-3-methylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(Azepan-1-ylimino)propylideneamino]-3-methylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(Azepan-1-ylimino)propylideneamino]-3-methylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.