N-methylthiomorpholine-4-carbothioamide
TL;DR: N-methylthiomorpholine-4-carbothioamide (CAS 72662-54-5) is a chemical compound with molecular formula C6H12N2S2 and molecular weight 176.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methylthiomorpholine-4-carbothioamide
Also Known As: N-methylthiomorpholine-4-carbothioamide, N-methyl-4-thiomorpholinecarbothioamide, AO-080/43378396, (methylamino)-1,4-thiazaperhydroin-4-ylmethane-1-thione, A3611/0153062
| Molecular Formula | C6H12N2S2 |
|---|---|
| Molecular Weight | 176.04 g/mol |
| LogP | 0.5395 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.04419 |
| Heavy Atoms | 10 |
| Complexity | 120.91622 |
Chemical Identifiers
| CAS Number | 72662-54-5 |
|---|---|
| SMILES | CNC(=S)N1CCSCC1 |
Product Overview
N-methylthiomorpholine-4-carbothioamide (CAS 72662-54-5), with molecular formula C6H12N2S2 and molecular weight 176.04 g/mol. IUPAC: N-methylthiomorpholine-4-carbothioamide.
Chemical Property Profile of N-methylthiomorpholine-4-carbothioamide
Property Insights of N-methylthiomorpholine-4-carbothioamide
The XLogP value of 0.5395 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methylthiomorpholine-4-carbothioamide. With a topological polar surface area (TPSA) of 15.27 Ų, N-methylthiomorpholine-4-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methylthiomorpholine-4-carbothioamide 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 N-methylthiomorpholine-4-carbothioamide?
The CAS number of N-methylthiomorpholine-4-carbothioamide is 72662-54-5.
What is the molecular formula of N-methylthiomorpholine-4-carbothioamide?
The molecular formula of N-methylthiomorpholine-4-carbothioamide is C6H12N2S2.
What is the molecular weight of N-methylthiomorpholine-4-carbothioamide?
The molecular weight of N-methylthiomorpholine-4-carbothioamide is 176.04 g/mol.
Where can I buy N-methylthiomorpholine-4-carbothioamide?
You can request a quote for N-methylthiomorpholine-4-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methylthiomorpholine-4-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-methylthiomorpholine-4-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.