5-(苄硫基)-1,3,4-噻二唑-2-胺
TL;DR: 5-(苄硫基)-1,3,4-噻二唑-2-胺 (CAS 25660-71-3) is a chemical compound with molecular formula C9H9N3S2 and molecular weight 223.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(苄硫基)-1,3,4-噻二唑-2-胺
5-benzylsulfanyl-1,3,4-thiadiazol-2-amine
Also Known As: 2-benzylthio-5-amino-1,3,4-thiadiazole, 5-(Benzylthio)-1,3,4-thiadiazol-2-amine, 5-(benzylsulfanyl)-1,3,4-thiadiazol-2-amine, 2-amino-5-benzylthio-1,3,4-thiadiazole, 5-benzylsulfanyl-1,3,4-thiadiazol-2-amine
| Molecular Formula | C9H9N3S2 |
|---|---|
| Molecular Weight | 223.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.02379 |
| Heavy Atoms | 14 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 25660-71-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(S2)N |
| InChIKey | BHIGBGKIAJJBGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(苄硫基)-1,3,4-噻二唑-2-胺 (CAS 25660-71-3), with molecular formula C9H9N3S2 and molecular weight 223.02 g/mol. IUPAC: 5-benzylsulfanyl-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 5-(苄硫基)-1,3,4-噻二唑-2-胺
Property Insights of 5-(苄硫基)-1,3,4-噻二唑-2-胺
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(苄硫基)-1,3,4-噻二唑-2-胺. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(苄硫基)-1,3,4-噻二唑-2-胺. Following Lipinski's Rule of Five, 5-(苄硫基)-1,3,4-噻二唑-2-胺 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 5-(苄硫基)-1,3,4-噻二唑-2-胺?
The CAS number of 5-(苄硫基)-1,3,4-噻二唑-2-胺 is 25660-71-3.
What is the molecular formula of 5-(苄硫基)-1,3,4-噻二唑-2-胺?
The molecular formula of 5-(苄硫基)-1,3,4-噻二唑-2-胺 is C9H9N3S2.
What is the molecular weight of 5-(苄硫基)-1,3,4-噻二唑-2-胺?
The molecular weight of 5-(苄硫基)-1,3,4-噻二唑-2-胺 is 223.02 g/mol.
Where can I buy 5-(苄硫基)-1,3,4-噻二唑-2-胺?
You can request a quote for 5-(苄硫基)-1,3,4-噻二唑-2-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(苄硫基)-1,3,4-噻二唑-2-胺?
Yes, KEHONG BIO provides custom synthesis services for 5-(苄硫基)-1,3,4-噻二唑-2-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.