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5-Benzylsulfanylmethyl-[1,3,4]thiadiazol-2-ylamine
TL;DR: 5-Benzylsulfanylmethyl-[1,3,4]thiadiazol-2-ylamine (CAS 247225-83-8) is a chemical compound with molecular formula C10H11N3S2 and molecular weight 237.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
Also Known As: 5-Benzylsulfanylmethyl-[1,3,4]thiadiazol-2-ylamine, 5-[(benzylthio)methyl]-1,3,4-thiadiazol-2-amine, 5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-amine, 5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-amine, 2-amino-5-(benzylthiomethyl) thiadiazole
| Molecular Formula | C10H11N3S2 |
|---|---|
| Molecular Weight | 237.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.03944 |
| Heavy Atoms | 15 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 247225-83-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCC2=NN=C(S2)N |
| InChIKey | JCGQNFWTTJESBB-UHFFFAOYSA-N |
Product Overview
5-Benzylsulfanylmethyl-[1,3,4]thiadiazol-2-ylamine (CAS 247225-83-8), with molecular formula C10H11N3S2 and molecular weight 237.04 g/mol. IUPAC: 5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 5-Benzylsulfanylmethyl-[1,3,4]thiadiazol-2-ylamine
Property Insights of 5-Benzylsulfanylmethyl-[1,3,4]thiadiazol-2-ylamine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzylsulfanylmethyl-[1,3,4]thiadiazol-2-ylamine. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzylsulfanylmethyl-[1,3,4]thiadiazol-2-ylamine. Following Lipinski's Rule of Five, 5-Benzylsulfanylmethyl-[1,3,4]thiadiazol-2-ylamine 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-Benzylsulfanylmethyl-[1,3,4]thiadiazol-2-ylamine?
The CAS number of 5-Benzylsulfanylmethyl-[1,3,4]thiadiazol-2-ylamine is 247225-83-8.
What is the molecular formula of 5-Benzylsulfanylmethyl-[1,3,4]thiadiazol-2-ylamine?
The molecular formula of 5-Benzylsulfanylmethyl-[1,3,4]thiadiazol-2-ylamine is C10H11N3S2.
What is the molecular weight of 5-Benzylsulfanylmethyl-[1,3,4]thiadiazol-2-ylamine?
The molecular weight of 5-Benzylsulfanylmethyl-[1,3,4]thiadiazol-2-ylamine is 237.04 g/mol.
Where can I buy 5-Benzylsulfanylmethyl-[1,3,4]thiadiazol-2-ylamine?
You can request a quote for 5-Benzylsulfanylmethyl-[1,3,4]thiadiazol-2-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzylsulfanylmethyl-[1,3,4]thiadiazol-2-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzylsulfanylmethyl-[1,3,4]thiadiazol-2-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.