3,4-Dihydro-6-hydroxymethyl-4-oxo-2-thioxo-2H-1,3-thiazine
TL;DR: 3,4-Dihydro-6-hydroxymethyl-4-oxo-2-thioxo-2H-1,3-thiazine (CAS 31555-06-3) is a chemical compound with molecular formula C5H5NO2S2 and molecular weight 174.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(hydroxymethyl)-2-sulfanylidene-1,3-thiazin-4-one
Also Known As: 6-hydroxymethyl-2-thioxo-1,3-thiazin-4-one, 3,4-Dihydro-6-hydroxymethyl-4-oxo-2-thioxo-2H-1,3-thiazine, 6-(hydroxymethyl)-2-sulfanylidene-1,3-thiazin-4-one, 6-hydroxymethyl-2-thioxo-2,3-dihydro-1,3-thiazin-4-one, 6-(Hydroxymethyl)-2-thioxo-2,3-dihydro-4H-1,3-thiazin-4-one #
| Molecular Formula | C5H5NO2S2 |
|---|---|
| Molecular Weight | 174.98 g/mol |
| LogP | 0.65819 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.97617 |
| Heavy Atoms | 10 |
| Complexity | 298.6601 |
Chemical Identifiers
| CAS Number | 31555-06-3 |
|---|---|
| SMILES | C1=C(SC(=S)NC1=O)CO |
Product Overview
3,4-Dihydro-6-hydroxymethyl-4-oxo-2-thioxo-2H-1,3-thiazine (CAS 31555-06-3), with molecular formula C5H5NO2S2 and molecular weight 174.98 g/mol. IUPAC: 6-(hydroxymethyl)-2-sulfanylidene-1,3-thiazin-4-one.
Chemical Property Profile of 3,4-Dihydro-6-hydroxymethyl-4-oxo-2-thioxo-2H-1,3-thiazine
Property Insights of 3,4-Dihydro-6-hydroxymethyl-4-oxo-2-thioxo-2H-1,3-thiazine
The XLogP value of 0.65819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-6-hydroxymethyl-4-oxo-2-thioxo-2H-1,3-thiazine. With a topological polar surface area (TPSA) of 53.09 Ų, 3,4-Dihydro-6-hydroxymethyl-4-oxo-2-thioxo-2H-1,3-thiazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydro-6-hydroxymethyl-4-oxo-2-thioxo-2H-1,3-thiazine has 2 hydrogen bond donor(s) and 4 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 3,4-Dihydro-6-hydroxymethyl-4-oxo-2-thioxo-2H-1,3-thiazine?
The CAS number of 3,4-Dihydro-6-hydroxymethyl-4-oxo-2-thioxo-2H-1,3-thiazine is 31555-06-3.
What is the molecular formula of 3,4-Dihydro-6-hydroxymethyl-4-oxo-2-thioxo-2H-1,3-thiazine?
The molecular formula of 3,4-Dihydro-6-hydroxymethyl-4-oxo-2-thioxo-2H-1,3-thiazine is C5H5NO2S2.
What is the molecular weight of 3,4-Dihydro-6-hydroxymethyl-4-oxo-2-thioxo-2H-1,3-thiazine?
The molecular weight of 3,4-Dihydro-6-hydroxymethyl-4-oxo-2-thioxo-2H-1,3-thiazine is 174.98 g/mol.
Where can I buy 3,4-Dihydro-6-hydroxymethyl-4-oxo-2-thioxo-2H-1,3-thiazine?
You can request a quote for 3,4-Dihydro-6-hydroxymethyl-4-oxo-2-thioxo-2H-1,3-thiazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-6-hydroxymethyl-4-oxo-2-thioxo-2H-1,3-thiazine?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-6-hydroxymethyl-4-oxo-2-thioxo-2H-1,3-thiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.