![(Dimethylamino)[(prop-2-ynyloxymethyl)amino]methane-1-thione structure](/static/products/810/81066-26-4.png)
(Dimethylamino)[(prop-2-ynyloxymethyl)amino]methane-1-thione
TL;DR: (Dimethylamino)[(prop-2-ynyloxymethyl)amino]methane-1-thione (CAS 81066-26-4) is a chemical compound with molecular formula C7H12N2OS and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dimethyl-3-(prop-2-ynoxymethyl)thiourea
Also Known As: 1,1-dimethyl-3-(prop-2-ynoxymethyl)thiourea, Thiourea, N,N-dimethyl-N'-[(2-propynyloxy)methyl]-, N,N-Dimethyl-N'-{[(prop-2-yn-1-yl)oxy]methyl}thiourea, (dimethylamino)[(prop-2-ynyloxymethyl)amino]methane-1-thione
| Molecular Formula | C7H12N2OS |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 0.0298 |
| Topological Polar Surface Area | 24.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.06703 |
| Heavy Atoms | 11 |
| Complexity | 162.31374 |
Chemical Identifiers
| CAS Number | 81066-26-4 |
|---|---|
| SMILES | CN(C)C(=S)NCOCC#C |
Product Overview
(Dimethylamino)[(prop-2-ynyloxymethyl)amino]methane-1-thione (CAS 81066-26-4), with molecular formula C7H12N2OS and molecular weight 172.07 g/mol. IUPAC: 1,1-dimethyl-3-(prop-2-ynoxymethyl)thiourea.
Chemical Property Profile of (Dimethylamino)[(prop-2-ynyloxymethyl)amino]methane-1-thione
Property Insights of (Dimethylamino)[(prop-2-ynyloxymethyl)amino]methane-1-thione
The XLogP value of 0.0298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Dimethylamino)[(prop-2-ynyloxymethyl)amino]methane-1-thione. With a topological polar surface area (TPSA) of 24.5 Ų, (Dimethylamino)[(prop-2-ynyloxymethyl)amino]methane-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Dimethylamino)[(prop-2-ynyloxymethyl)amino]methane-1-thione 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 (Dimethylamino)[(prop-2-ynyloxymethyl)amino]methane-1-thione?
The CAS number of (Dimethylamino)[(prop-2-ynyloxymethyl)amino]methane-1-thione is 81066-26-4.
What is the molecular formula of (Dimethylamino)[(prop-2-ynyloxymethyl)amino]methane-1-thione?
The molecular formula of (Dimethylamino)[(prop-2-ynyloxymethyl)amino]methane-1-thione is C7H12N2OS.
What is the molecular weight of (Dimethylamino)[(prop-2-ynyloxymethyl)amino]methane-1-thione?
The molecular weight of (Dimethylamino)[(prop-2-ynyloxymethyl)amino]methane-1-thione is 172.07 g/mol.
Where can I buy (Dimethylamino)[(prop-2-ynyloxymethyl)amino]methane-1-thione?
You can request a quote for (Dimethylamino)[(prop-2-ynyloxymethyl)amino]methane-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Dimethylamino)[(prop-2-ynyloxymethyl)amino]methane-1-thione?
Yes, KEHONG BIO provides custom synthesis services for (Dimethylamino)[(prop-2-ynyloxymethyl)amino]methane-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.