5-((4-(Methylthio)benzyl)thio)-1,3,4-thiadiazol-2-amine
TL;DR: 5-((4-(Methylthio)benzyl)thio)-1,3,4-thiadiazol-2-amine (CAS 1004176-47-9) is a chemical compound with molecular formula C10H11N3S3 and molecular weight 269.0115 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
Also Known As: 5-((4-(Methylthio)benzyl)thio)-1,3,4-thiadiazol-2-amine, 5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
Technical Specifications
| Molecular Formula | C10H11N3S3 |
| Molecular Weight | 269.0115 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.0115 Da |
| Heavy Atoms | 16 |
| Complexity | 209.0 |
| SMILES | CSC1=CC=C(C=C1)CSC2=NN=C(S2)N |
| InChIKey | CEXNAWNXQWOJNE-UHFFFAOYSA-N |
Chemical Property Profile of 5-((4-(Methylthio)benzyl)thio)-1,3,4-thiadiazol-2-amine
Property Insights of 5-((4-(Methylthio)benzyl)thio)-1,3,4-thiadiazol-2-amine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((4-(Methylthio)benzyl)thio)-1,3,4-thiadiazol-2-amine. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((4-(Methylthio)benzyl)thio)-1,3,4-thiadiazol-2-amine. Following Lipinski's Rule of Five, 5-((4-(Methylthio)benzyl)thio)-1,3,4-thiadiazol-2-amine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-((4-(Methylthio)benzyl)thio)-1,3,4-thiadiazol-2-amine?
The CAS number of 5-((4-(Methylthio)benzyl)thio)-1,3,4-thiadiazol-2-amine is 1004176-47-9.
What is the molecular formula of 5-((4-(Methylthio)benzyl)thio)-1,3,4-thiadiazol-2-amine?
The molecular formula of 5-((4-(Methylthio)benzyl)thio)-1,3,4-thiadiazol-2-amine is C10H11N3S3.
What is the molecular weight of 5-((4-(Methylthio)benzyl)thio)-1,3,4-thiadiazol-2-amine?
The molecular weight of 5-((4-(Methylthio)benzyl)thio)-1,3,4-thiadiazol-2-amine is 269.0115 g/mol.
Where can I buy 5-((4-(Methylthio)benzyl)thio)-1,3,4-thiadiazol-2-amine?
You can request a quote for 5-((4-(Methylthio)benzyl)thio)-1,3,4-thiadiazol-2-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-((4-(Methylthio)benzyl)thio)-1,3,4-thiadiazol-2-amine?
Yes, CoreyChem provides custom synthesis services for 5-((4-(Methylthio)benzyl)thio)-1,3,4-thiadiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.