Isobutyl 1,3,4-thiadiazol-2-ylcarbamate
TL;DR: Isobutyl 1,3,4-thiadiazol-2-ylcarbamate (CAS 30832-77-0) is a chemical compound with molecular formula C7H11N3O2S and molecular weight 201.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl N-(1,3,4-thiadiazol-2-yl)carbamate
Also Known As: isobutyl 1,3,4-thiadiazol-2-ylcarbamate, 2-methylpropyl N-(1,3,4-thiadiazol-2-yl)carbamate, [1,3,4]thiadiazol-2-yl-carbamic acid isobutyl ester
| Molecular Formula | C7H11N3O2S |
|---|---|
| Molecular Weight | 201.06 g/mol |
| LogP | 1.7426 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.0572 |
| Heavy Atoms | 13 |
| Complexity | 260.71118 |
Chemical Identifiers
| CAS Number | 30832-77-0 |
|---|---|
| SMILES | CC(C)COC(=O)NC1=NN=CS1 |
Product Overview
Isobutyl 1,3,4-thiadiazol-2-ylcarbamate (CAS 30832-77-0), with molecular formula C7H11N3O2S and molecular weight 201.06 g/mol. IUPAC: 2-methylpropyl N-(1,3,4-thiadiazol-2-yl)carbamate.
Chemical Property Profile of Isobutyl 1,3,4-thiadiazol-2-ylcarbamate
Property Insights of Isobutyl 1,3,4-thiadiazol-2-ylcarbamate
The XLogP value of 1.7426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl 1,3,4-thiadiazol-2-ylcarbamate. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Isobutyl 1,3,4-thiadiazol-2-ylcarbamate. Following Lipinski's Rule of Five, Isobutyl 1,3,4-thiadiazol-2-ylcarbamate 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 Isobutyl 1,3,4-thiadiazol-2-ylcarbamate?
The CAS number of Isobutyl 1,3,4-thiadiazol-2-ylcarbamate is 30832-77-0.
What is the molecular formula of Isobutyl 1,3,4-thiadiazol-2-ylcarbamate?
The molecular formula of Isobutyl 1,3,4-thiadiazol-2-ylcarbamate is C7H11N3O2S.
What is the molecular weight of Isobutyl 1,3,4-thiadiazol-2-ylcarbamate?
The molecular weight of Isobutyl 1,3,4-thiadiazol-2-ylcarbamate is 201.06 g/mol.
Where can I buy Isobutyl 1,3,4-thiadiazol-2-ylcarbamate?
You can request a quote for Isobutyl 1,3,4-thiadiazol-2-ylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl 1,3,4-thiadiazol-2-ylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 1,3,4-thiadiazol-2-ylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.