1,3,4-Thiadiazole, 2-amino-5-(heptylthio)-
TL;DR: 1,3,4-Thiadiazole, 2-amino-5-(heptylthio)- (CAS 33313-10-9) is a chemical compound with molecular formula C9H17N3S2 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-heptylsulfanyl-1,3,4-thiadiazol-2-amine
Also Known As: 2-amino-5-1,3,4-thiadiazole, 1,3,4-Thiadiazole, 2-amino-5-(heptylthio)-, 2-Amino-5-(heptylthio)-1,3,4-thiadiazole, 5-(heptylthio)-1,3,4-thiadiazol-2-amine, 5-heptylsulfanyl-1,3,4-thiadiazol-2-amine
| Molecular Formula | C9H17N3S2 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 231.0864 |
| Heavy Atoms | 14 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 33313-10-9 |
|---|---|
| SMILES | CCCCCCCSC1=NN=C(S1)N |
| InChIKey | VXNPKYLZLLWUDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,4-Thiadiazole, 2-amino-5-(heptylthio)- (CAS 33313-10-9), with molecular formula C9H17N3S2 and molecular weight 231.09 g/mol. IUPAC: 5-heptylsulfanyl-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 1,3,4-Thiadiazole, 2-amino-5-(heptylthio)-
Property Insights of 1,3,4-Thiadiazole, 2-amino-5-(heptylthio)-
The XLogP value of 3.7 indicates that 1,3,4-Thiadiazole, 2-amino-5-(heptylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-Thiadiazole, 2-amino-5-(heptylthio)-. Following Lipinski's Rule of Five, 1,3,4-Thiadiazole, 2-amino-5-(heptylthio)- 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 1,3,4-Thiadiazole, 2-amino-5-(heptylthio)-?
The CAS number of 1,3,4-Thiadiazole, 2-amino-5-(heptylthio)- is 33313-10-9.
What is the molecular formula of 1,3,4-Thiadiazole, 2-amino-5-(heptylthio)-?
The molecular formula of 1,3,4-Thiadiazole, 2-amino-5-(heptylthio)- is C9H17N3S2.
What is the molecular weight of 1,3,4-Thiadiazole, 2-amino-5-(heptylthio)-?
The molecular weight of 1,3,4-Thiadiazole, 2-amino-5-(heptylthio)- is 231.09 g/mol.
Where can I buy 1,3,4-Thiadiazole, 2-amino-5-(heptylthio)-?
You can request a quote for 1,3,4-Thiadiazole, 2-amino-5-(heptylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Thiadiazole, 2-amino-5-(heptylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Thiadiazole, 2-amino-5-(heptylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.