N,N,2-trimethylpropanethioamide
TL;DR: N,N,2-trimethylpropanethioamide (CAS 52912-63-7) is a chemical compound with molecular formula C6H13NS and molecular weight 131.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N,2-trimethylpropanethioamide
Also Known As: N,N,2-trimethylpropanethioamide, propanethioamide, N,N,2-trimethyl-, N,N,2-trimethyl-propanethioamide, InChI=1/C6H13NS/c1-5(2)6(8)7(3)4/h5H,1-4H
| Molecular Formula | C6H13NS |
|---|---|
| Molecular Weight | 131.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 131.07687 |
| Heavy Atoms | 8 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 52912-63-7 |
|---|---|
| SMILES | CC(C)C(=S)N(C)C |
| InChIKey | VLVOLSDXFIUFQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N,2-trimethylpropanethioamide (CAS 52912-63-7), with molecular formula C6H13NS and molecular weight 131.08 g/mol. IUPAC: N,N,2-trimethylpropanethioamide.
Chemical Property Profile of N,N,2-trimethylpropanethioamide
Property Insights of N,N,2-trimethylpropanethioamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N,2-trimethylpropanethioamide. With a topological polar surface area (TPSA) of 35.3 Ų, N,N,2-trimethylpropanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N,2-trimethylpropanethioamide 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,2-trimethylpropanethioamide?
The CAS number of N,N,2-trimethylpropanethioamide is 52912-63-7.
What is the molecular formula of N,N,2-trimethylpropanethioamide?
The molecular formula of N,N,2-trimethylpropanethioamide is C6H13NS.
What is the molecular weight of N,N,2-trimethylpropanethioamide?
The molecular weight of N,N,2-trimethylpropanethioamide is 131.08 g/mol.
Where can I buy N,N,2-trimethylpropanethioamide?
You can request a quote for N,N,2-trimethylpropanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N,2-trimethylpropanethioamide?
Yes, KEHONG BIO provides custom synthesis services for N,N,2-trimethylpropanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.