1,4-bis(((4H-1,2,4-triazol-3-yl)thio)methyl)benzene
TL;DR: 1,4-bis(((4H-1,2,4-triazol-3-yl)thio)methyl)benzene (CAS 355430-48-7) is a chemical compound with molecular formula C12H12N6S2 and molecular weight 304.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole
Also Known As: ChemDiv2_004972, IDI1_003687, 1,4-bis(((4H-1,2,4-triazol-3-yl)thio)methyl)benzene, BIM-0013948.P001, 3-[({4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenyl}methyl)sulfanyl]-4H-1,2,4-triazole
| Molecular Formula | C12H12N6S2 |
|---|---|
| Molecular Weight | 304.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.0565 |
| Heavy Atoms | 20 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 355430-48-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NC=NN2)CSC3=NC=NN3 |
| InChIKey | PAZRPGAWBXLEAJ-UHFFFAOYSA-N |
Product Overview
1,4-bis(((4H-1,2,4-triazol-3-yl)thio)methyl)benzene (CAS 355430-48-7), with molecular formula C12H12N6S2 and molecular weight 304.06 g/mol. IUPAC: 5-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole.
Chemical Property Profile of 1,4-bis(((4H-1,2,4-triazol-3-yl)thio)methyl)benzene
Property Insights of 1,4-bis(((4H-1,2,4-triazol-3-yl)thio)methyl)benzene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-bis(((4H-1,2,4-triazol-3-yl)thio)methyl)benzene. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-bis(((4H-1,2,4-triazol-3-yl)thio)methyl)benzene. Following Lipinski's Rule of Five, 1,4-bis(((4H-1,2,4-triazol-3-yl)thio)methyl)benzene has 2 hydrogen bond donor(s) and 6 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 1,4-bis(((4H-1,2,4-triazol-3-yl)thio)methyl)benzene?
The CAS number of 1,4-bis(((4H-1,2,4-triazol-3-yl)thio)methyl)benzene is 355430-48-7.
What is the molecular formula of 1,4-bis(((4H-1,2,4-triazol-3-yl)thio)methyl)benzene?
The molecular formula of 1,4-bis(((4H-1,2,4-triazol-3-yl)thio)methyl)benzene is C12H12N6S2.
What is the molecular weight of 1,4-bis(((4H-1,2,4-triazol-3-yl)thio)methyl)benzene?
The molecular weight of 1,4-bis(((4H-1,2,4-triazol-3-yl)thio)methyl)benzene is 304.06 g/mol.
Where can I buy 1,4-bis(((4H-1,2,4-triazol-3-yl)thio)methyl)benzene?
You can request a quote for 1,4-bis(((4H-1,2,4-triazol-3-yl)thio)methyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-bis(((4H-1,2,4-triazol-3-yl)thio)methyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-bis(((4H-1,2,4-triazol-3-yl)thio)methyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.