3-(4-methoxyphenyl)-5-sulfanyl-1,3,4-thiadiazole-2(3H)-thione
TL;DR: 3-(4-methoxyphenyl)-5-sulfanyl-1,3,4-thiadiazole-2(3H)-thione (CAS 27831-56-7) is a chemical compound with molecular formula C9H8N2OS3 and molecular weight 255.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-1,3,4-thiadiazolidine-2,5-dithione
Also Known As: 3-(4-methoxyphenyl)-5-sulfanyl-1,3,4-thiadiazole-2(3H)-thione, AO-780/25081005, 3-(4-methoxyphenyl)-1,3,4-thiadiazolidine-2,5-dithione, 3-(4-methoxyphenyl)-5-sulfanyl-1,3,4-thiadiazoline-2-thione, 5-Mercapto-3-(4-methoxyphenyl)-1,3,4-thiadiazole-2(3H)-thione
| Molecular Formula | C9H8N2OS3 |
|---|---|
| Molecular Weight | 255.98 g/mol |
| LogP | 3.33448 |
| Topological Polar Surface Area | 29.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.97987 |
| Heavy Atoms | 15 |
| Complexity | 564.0336 |
Chemical Identifiers
| CAS Number | 27831-56-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=S)SC(=S)N2 |
Product Overview
3-(4-methoxyphenyl)-5-sulfanyl-1,3,4-thiadiazole-2(3H)-thione (CAS 27831-56-7), with molecular formula C9H8N2OS3 and molecular weight 255.98 g/mol. IUPAC: 3-(4-methoxyphenyl)-1,3,4-thiadiazolidine-2,5-dithione.
Chemical Property Profile of 3-(4-methoxyphenyl)-5-sulfanyl-1,3,4-thiadiazole-2(3H)-thione
Property Insights of 3-(4-methoxyphenyl)-5-sulfanyl-1,3,4-thiadiazole-2(3H)-thione
The XLogP value of 3.33448 indicates that 3-(4-methoxyphenyl)-5-sulfanyl-1,3,4-thiadiazole-2(3H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.95 Ų, 3-(4-methoxyphenyl)-5-sulfanyl-1,3,4-thiadiazole-2(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-methoxyphenyl)-5-sulfanyl-1,3,4-thiadiazole-2(3H)-thione has 1 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-methoxyphenyl)-5-sulfanyl-1,3,4-thiadiazole-2(3H)-thione?
The CAS number of 3-(4-methoxyphenyl)-5-sulfanyl-1,3,4-thiadiazole-2(3H)-thione is 27831-56-7.
What is the molecular formula of 3-(4-methoxyphenyl)-5-sulfanyl-1,3,4-thiadiazole-2(3H)-thione?
The molecular formula of 3-(4-methoxyphenyl)-5-sulfanyl-1,3,4-thiadiazole-2(3H)-thione is C9H8N2OS3.
What is the molecular weight of 3-(4-methoxyphenyl)-5-sulfanyl-1,3,4-thiadiazole-2(3H)-thione?
The molecular weight of 3-(4-methoxyphenyl)-5-sulfanyl-1,3,4-thiadiazole-2(3H)-thione is 255.98 g/mol.
Where can I buy 3-(4-methoxyphenyl)-5-sulfanyl-1,3,4-thiadiazole-2(3H)-thione?
You can request a quote for 3-(4-methoxyphenyl)-5-sulfanyl-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-(4-methoxyphenyl)-5-sulfanyl-1,3,4-thiadiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methoxyphenyl)-5-sulfanyl-1,3,4-thiadiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.