![methyl {5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}carbamate structure](/static/products/116/1164556-01-7.png)
methyl {5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}carbamate
TL;DR: methyl {5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}carbamate (CAS 1164556-01-7) is a chemical compound with molecular formula C12H11N3O2S and molecular weight 261.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]carbamate
Also Known As: (E)-methyl (5-styryl-1,3,4-thiadiazol-2-yl)carbamate, methyl {5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}carbamate, [5-((E)-Styryl)-[1,3,4]thiadiazol-2-yl]-carbamic acid methyl ester, methyl N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]carbamate, methyl [(2E)-5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
| Molecular Formula | C12H11N3O2S |
|---|---|
| Molecular Weight | 261.06 g/mol |
| LogP | 2.8868 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.0572 |
| Heavy Atoms | 18 |
| Complexity | 551.45996 |
Chemical Identifiers
| CAS Number | 1164556-01-7 |
|---|---|
| SMILES | COC(=O)NC1=NN=C(S1)/C=C/C2=CC=CC=C2 |
Product Overview
methyl {5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}carbamate (CAS 1164556-01-7), with molecular formula C12H11N3O2S and molecular weight 261.06 g/mol. IUPAC: methyl N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]carbamate.
Chemical Property Profile of methyl {5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}carbamate
Property Insights of methyl {5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}carbamate
The XLogP value of 2.8868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl {5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}carbamate. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl {5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}carbamate. Following Lipinski's Rule of Five, methyl {5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}carbamate 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 methyl {5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}carbamate?
The CAS number of methyl {5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}carbamate is 1164556-01-7.
What is the molecular formula of methyl {5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}carbamate?
The molecular formula of methyl {5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}carbamate is C12H11N3O2S.
What is the molecular weight of methyl {5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}carbamate?
The molecular weight of methyl {5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}carbamate is 261.06 g/mol.
Where can I buy methyl {5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}carbamate?
You can request a quote for methyl {5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl {5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}carbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl {5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.