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5-[(1-Naphthylmethyl)thio]-1,3,4-thiadiazol-2-amine
TL;DR: 5-[(1-Naphthylmethyl)thio]-1,3,4-thiadiazol-2-amine (CAS 100728-67-4) is a chemical compound with molecular formula C13H11N3S2 and molecular weight 273.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
Also Known As: 5-[(1-naphthylmethyl)thio]-1,3,4-thiadiazol-2-amine, 5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-amine, BAS 00436112, 5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine, 5-{[(naphthalen-1-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine
| Molecular Formula | C13H11N3S2 |
|---|---|
| Molecular Weight | 273.04 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.03943 |
| Heavy Atoms | 18 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 100728-67-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(S3)N |
| InChIKey | FVZXNLYVWPHMAT-UHFFFAOYSA-N |
Product Overview
5-[(1-Naphthylmethyl)thio]-1,3,4-thiadiazol-2-amine (CAS 100728-67-4), with molecular formula C13H11N3S2 and molecular weight 273.04 g/mol. IUPAC: 5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 5-[(1-Naphthylmethyl)thio]-1,3,4-thiadiazol-2-amine
Property Insights of 5-[(1-Naphthylmethyl)thio]-1,3,4-thiadiazol-2-amine
The XLogP value of 3.6 indicates that 5-[(1-Naphthylmethyl)thio]-1,3,4-thiadiazol-2-amine 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 5-[(1-Naphthylmethyl)thio]-1,3,4-thiadiazol-2-amine. Following Lipinski's Rule of Five, 5-[(1-Naphthylmethyl)thio]-1,3,4-thiadiazol-2-amine 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-[(1-Naphthylmethyl)thio]-1,3,4-thiadiazol-2-amine?
The CAS number of 5-[(1-Naphthylmethyl)thio]-1,3,4-thiadiazol-2-amine is 100728-67-4.
What is the molecular formula of 5-[(1-Naphthylmethyl)thio]-1,3,4-thiadiazol-2-amine?
The molecular formula of 5-[(1-Naphthylmethyl)thio]-1,3,4-thiadiazol-2-amine is C13H11N3S2.
What is the molecular weight of 5-[(1-Naphthylmethyl)thio]-1,3,4-thiadiazol-2-amine?
The molecular weight of 5-[(1-Naphthylmethyl)thio]-1,3,4-thiadiazol-2-amine is 273.04 g/mol.
Where can I buy 5-[(1-Naphthylmethyl)thio]-1,3,4-thiadiazol-2-amine?
You can request a quote for 5-[(1-Naphthylmethyl)thio]-1,3,4-thiadiazol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(1-Naphthylmethyl)thio]-1,3,4-thiadiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-[(1-Naphthylmethyl)thio]-1,3,4-thiadiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.