3-(Hydroxymethyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione
TL;DR: 3-(Hydroxymethyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione (CAS 90567-39-8) is a chemical compound with molecular formula C4H6N2OS3 and molecular weight 193.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(hydroxymethyl)-5-methylsulfanyl-1,3,4-thiadiazole-2-thione
Also Known As: Coronarine, 3-(Hydroxymethyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione, Maybridge1_008891, 2771AF, 3-(hydroxymethyl)-5-methylsulfanyl-1,3,4-thiadiazole-2-thione
| Molecular Formula | C4H6N2OS3 |
|---|---|
| Molecular Weight | 193.96 g/mol |
| LogP | 1.34579 |
| Topological Polar Surface Area | 38.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.96423 |
| Heavy Atoms | 10 |
| Complexity | 265.71158 |
Chemical Identifiers
| CAS Number | 90567-39-8 |
|---|---|
| SMILES | CSC1=NN(C(=S)S1)CO |
Product Overview
3-(Hydroxymethyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione (CAS 90567-39-8), with molecular formula C4H6N2OS3 and molecular weight 193.96 g/mol. IUPAC: 3-(hydroxymethyl)-5-methylsulfanyl-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 3-(Hydroxymethyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione
Property Insights of 3-(Hydroxymethyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione
The XLogP value of 1.34579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Hydroxymethyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione. With a topological polar surface area (TPSA) of 38.05 Ų, 3-(Hydroxymethyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Hydroxymethyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione has 1 hydrogen bond donor(s) and 5 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-(Hydroxymethyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione?
The CAS number of 3-(Hydroxymethyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione is 90567-39-8.
What is the molecular formula of 3-(Hydroxymethyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione?
The molecular formula of 3-(Hydroxymethyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione is C4H6N2OS3.
What is the molecular weight of 3-(Hydroxymethyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione?
The molecular weight of 3-(Hydroxymethyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione is 193.96 g/mol.
Where can I buy 3-(Hydroxymethyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione?
You can request a quote for 3-(Hydroxymethyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Hydroxymethyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(Hydroxymethyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.