methane-1-thione structure](/static/products/210/21076-72-2.png)
[(Dimethylamino)amino](butylamino)methane-1-thione
TL;DR: [(Dimethylamino)amino](butylamino)methane-1-thione (CAS 21076-72-2) is a chemical compound with molecular formula C7H17N3S and molecular weight 175.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-(dimethylamino)thiourea
Also Known As: 1-butyl-3-dimethylamino-thiourea, 1-butyl-3-(dimethylamino)thiourea, N-butyl-2,2-dimethylhydrazinecarbothioamide, [(dimethylamino)amino](butylamino)methane-1-thione
| Molecular Formula | C7H17N3S |
|---|---|
| Molecular Weight | 175.11 g/mol |
| LogP | 0.7272 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 175.11432 |
| Heavy Atoms | 11 |
| Complexity | 114.25331 |
Chemical Identifiers
| CAS Number | 21076-72-2 |
|---|---|
| SMILES | CCCCNC(=S)NN(C)C |
Product Overview
[(Dimethylamino)amino](butylamino)methane-1-thione (CAS 21076-72-2), with molecular formula C7H17N3S and molecular weight 175.11 g/mol. IUPAC: 1-butyl-3-(dimethylamino)thiourea.
Chemical Property Profile of [(Dimethylamino)amino](butylamino)methane-1-thione
Property Insights of [(Dimethylamino)amino](butylamino)methane-1-thione
The XLogP value of 0.7272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(Dimethylamino)amino](butylamino)methane-1-thione. With a topological polar surface area (TPSA) of 27.3 Ų, [(Dimethylamino)amino](butylamino)methane-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(Dimethylamino)amino](butylamino)methane-1-thione has 2 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)amino](butylamino)methane-1-thione?
The CAS number of [(Dimethylamino)amino](butylamino)methane-1-thione is 21076-72-2.
What is the molecular formula of [(Dimethylamino)amino](butylamino)methane-1-thione?
The molecular formula of [(Dimethylamino)amino](butylamino)methane-1-thione is C7H17N3S.
What is the molecular weight of [(Dimethylamino)amino](butylamino)methane-1-thione?
The molecular weight of [(Dimethylamino)amino](butylamino)methane-1-thione is 175.11 g/mol.
Where can I buy [(Dimethylamino)amino](butylamino)methane-1-thione?
You can request a quote for [(Dimethylamino)amino](butylamino)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)amino](butylamino)methane-1-thione?
Yes, KEHONG BIO provides custom synthesis services for [(Dimethylamino)amino](butylamino)methane-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.