5-(Pentylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione
TL;DR: 5-(Pentylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione (CAS 89852-45-9) is a chemical compound with molecular formula C7H12N2S3 and molecular weight 220.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-pentylsulfanyl-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-(pentylthio)-1,3,4-thiadiazole-2-thiol, 5-PENTYLTHIO-1,3,4-THIADIAZOLE-2-THIOL, 5-pentylsulfanyl-3H-1,3,4-thiadiazole-2-thione, 1,4-diformyl-5-methyl-piperazine-2,3-diol, 1,3,4-Thiadiazole-2(3H)-thione,5-(pentylthio)-
| Molecular Formula | C7H12N2S3 |
|---|---|
| Molecular Weight | 220.02 g/mol |
| LogP | 3.48299 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.01627 |
| Heavy Atoms | 12 |
| Complexity | 265.61523 |
Chemical Identifiers
| CAS Number | 89852-45-9 |
|---|---|
| SMILES | CCCCCSC1=NNC(=S)S1 |
Product Overview
5-(Pentylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione (CAS 89852-45-9), with molecular formula C7H12N2S3 and molecular weight 220.02 g/mol. IUPAC: 5-pentylsulfanyl-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-(Pentylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione
Property Insights of 5-(Pentylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione
The XLogP value of 3.48299 indicates that 5-(Pentylsulfanyl)-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 28.68 Ų, 5-(Pentylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Pentylsulfanyl)-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 5-(Pentylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione?
The CAS number of 5-(Pentylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione is 89852-45-9.
What is the molecular formula of 5-(Pentylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione?
The molecular formula of 5-(Pentylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione is C7H12N2S3.
What is the molecular weight of 5-(Pentylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione?
The molecular weight of 5-(Pentylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione is 220.02 g/mol.
Where can I buy 5-(Pentylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione?
You can request a quote for 5-(Pentylsulfanyl)-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 5-(Pentylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(Pentylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.