RefChem:1052056
TL;DR: RefChem:1052056 (CAS 115370-86-0) is a chemical compound with molecular formula C12H14BrN5S and molecular weight 339.01532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-bromophenyl)-N-[(E)-butan-2-ylideneamino]-5-imino-1,2,4-thiadiazol-3-amine
Also Known As: 4-(4-Bromophenyl)-5-imino-1,2,4-thiadiazolidin-3-one (1-methylpropylidene)hydrazone, 1,2,4-Thiadiazolidin-3-one, 4-(4-bromophenyl)-5-imino-, (1-methylpropylidene)hydrazone
Technical Specifications
| Molecular Formula | C12H14BrN5S |
| Molecular Weight | 339.01532 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 89.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.01532 Da |
| Heavy Atoms | 19 |
| Complexity | 401.0 |
| SMILES | CC/C(=N/NC1=NSC(=N)N1C2=CC=C(C=C2)Br)/C |
| InChIKey | RJUKSKQCWWRXQC-GBMQTWKSSA-N |
Chemical Property Profile of RefChem:1052056
Property Insights of RefChem:1052056
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1052056. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1052056. Following Lipinski's Rule of Five, RefChem:1052056 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1052056?
The CAS number of RefChem:1052056 is 115370-86-0.
What is the molecular formula of RefChem:1052056?
The molecular formula of RefChem:1052056 is C12H14BrN5S.
What is the molecular weight of RefChem:1052056?
The molecular weight of RefChem:1052056 is 339.01532 g/mol.
Where can I buy RefChem:1052056?
You can request a quote for RefChem:1052056 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1052056?
Yes, CoreyChem provides custom synthesis services for RefChem:1052056 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.