Thiamylal
TL;DR: Thiamylal (CAS 77-27-0) is a chemical compound with molecular formula C12H18N2O2S and molecular weight 254.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-pentan-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: thiamylal, Thioseconal, Surital, Thioquinalbarbitone, Thiamylal [USAN]
| Molecular Formula | C12H18N2O2S |
|---|---|
| Molecular Weight | 254.11 g/mol |
| LogP | 1.516 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.1089 |
| Heavy Atoms | 17 |
| Complexity | 345.51712 |
Chemical Identifiers
| CAS Number | 77-27-0 |
|---|---|
| SMILES | CCCC(C)C1(C(=O)NC(=S)NC1=O)CC=C |
Product Overview
Thiamylal (CAS 77-27-0), with molecular formula C12H18N2O2S and molecular weight 254.11 g/mol. IUPAC: 5-pentan-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of Thiamylal
Property Insights of Thiamylal
The XLogP value of 1.516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiamylal. With a topological polar surface area (TPSA) of 58.2 Ų, Thiamylal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiamylal has 2 hydrogen bond donor(s) and 3 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 Thiamylal?
The CAS number of Thiamylal is 77-27-0.
What is the molecular formula of Thiamylal?
The molecular formula of Thiamylal is C12H18N2O2S.
What is the molecular weight of Thiamylal?
The molecular weight of Thiamylal is 254.11 g/mol.
Where can I buy Thiamylal?
You can request a quote for Thiamylal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiamylal?
Yes, KEHONG BIO provides custom synthesis services for Thiamylal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.