O-methyl (decylamino)methanethioate
TL;DR: O-methyl (decylamino)methanethioate (CAS 92412-31-2) is a chemical compound with molecular formula C12H25NOS and molecular weight 231.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-methyl N-decylcarbamothioate
Also Known As: O-methyl (decylamino)methanethioate, O-Methyl decylthiocarbamate, O-methyl N-decylcarbamothioate, O-Methyl decylcarbamothioate, NCI60_008680
| Molecular Formula | C12H25NOS |
|---|---|
| Molecular Weight | 231.17 g/mol |
| LogP | 3.648 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 231.16568 |
| Heavy Atoms | 15 |
| Complexity | 150.55754 |
Chemical Identifiers
| CAS Number | 92412-31-2 |
|---|---|
| SMILES | CCCCCCCCCCNC(=S)OC |
Product Overview
O-methyl (decylamino)methanethioate (CAS 92412-31-2), with molecular formula C12H25NOS and molecular weight 231.17 g/mol. IUPAC: O-methyl N-decylcarbamothioate.
Chemical Property Profile of O-methyl (decylamino)methanethioate
Property Insights of O-methyl (decylamino)methanethioate
The XLogP value of 3.648 indicates that O-methyl (decylamino)methanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, O-methyl (decylamino)methanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-methyl (decylamino)methanethioate 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 O-methyl (decylamino)methanethioate?
The CAS number of O-methyl (decylamino)methanethioate is 92412-31-2.
What is the molecular formula of O-methyl (decylamino)methanethioate?
The molecular formula of O-methyl (decylamino)methanethioate is C12H25NOS.
What is the molecular weight of O-methyl (decylamino)methanethioate?
The molecular weight of O-methyl (decylamino)methanethioate is 231.17 g/mol.
Where can I buy O-methyl (decylamino)methanethioate?
You can request a quote for O-methyl (decylamino)methanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-methyl (decylamino)methanethioate?
Yes, KEHONG BIO provides custom synthesis services for O-methyl (decylamino)methanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.