![methyl [(2E)-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate structure](/static/products/714/714241-27-7.png)
methyl [(2E)-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
TL;DR: methyl [(2E)-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate (CAS 714241-27-7) is a chemical compound with molecular formula C14H17N3O2S and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]carbamate
Also Known As: methyl (5-(4-(tert-butyl)phenyl)-1,3,4-thiadiazol-2-yl)carbamate, methyl N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]carbamate, methyl [(2E)-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
| Molecular Formula | C14H17N3O2S |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | 3.6809 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.10416 |
| Heavy Atoms | 20 |
| Complexity | 599.6267 |
Chemical Identifiers
| CAS Number | 714241-27-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)OC |
Product Overview
methyl [(2E)-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate (CAS 714241-27-7), with molecular formula C14H17N3O2S and molecular weight 291.10 g/mol. IUPAC: methyl N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]carbamate.
Chemical Property Profile of methyl [(2E)-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
Property Insights of methyl [(2E)-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
The XLogP value of 3.6809 indicates that methyl [(2E)-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl [(2E)-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate. Following Lipinski's Rule of Five, methyl [(2E)-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]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 [(2E)-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
The CAS number of methyl [(2E)-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate is 714241-27-7.
What is the molecular formula of methyl [(2E)-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
The molecular formula of methyl [(2E)-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate is C14H17N3O2S.
What is the molecular weight of methyl [(2E)-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
The molecular weight of methyl [(2E)-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate is 291.10 g/mol.
Where can I buy methyl [(2E)-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
You can request a quote for methyl [(2E)-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl [(2E)-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl [(2E)-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.