N,N-dibutylmethanethioamide
TL;DR: N,N-dibutylmethanethioamide (CAS 13749-55-8) is a chemical compound with molecular formula C9H19NS and molecular weight 173.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dibutylmethanethioamide
Also Known As: N,N-dibutylmethanethioamide, Methanethioamide, N,N-dibutyl-, N,N-dibutylthioformamide, methanethioamide, dibutyl-, Thioameisensaeure-dibutylamid
| Molecular Formula | C9H19NS |
|---|---|
| Molecular Weight | 173.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 173.12383 |
| Heavy Atoms | 11 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 13749-55-8 |
|---|---|
| SMILES | CCCCN(CCCC)C=S |
| InChIKey | CAFIJTOSFTXYRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-dibutylmethanethioamide (CAS 13749-55-8), with molecular formula C9H19NS and molecular weight 173.12 g/mol. IUPAC: N,N-dibutylmethanethioamide.
Chemical Property Profile of N,N-dibutylmethanethioamide
Property Insights of N,N-dibutylmethanethioamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-dibutylmethanethioamide. With a topological polar surface area (TPSA) of 35.3 Ų, N,N-dibutylmethanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-dibutylmethanethioamide has 0 hydrogen bond donor(s) and 1 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 N,N-dibutylmethanethioamide?
The CAS number of N,N-dibutylmethanethioamide is 13749-55-8.
What is the molecular formula of N,N-dibutylmethanethioamide?
The molecular formula of N,N-dibutylmethanethioamide is C9H19NS.
What is the molecular weight of N,N-dibutylmethanethioamide?
The molecular weight of N,N-dibutylmethanethioamide is 173.12 g/mol.
Where can I buy N,N-dibutylmethanethioamide?
You can request a quote for N,N-dibutylmethanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-dibutylmethanethioamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-dibutylmethanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.