Methyl (5-(((3-bromobenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)carbamate
TL;DR: Methyl (5-(((3-bromobenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)carbamate (CAS 695160-49-7) is a chemical compound with molecular formula C12H12BrN3O2S2 and molecular weight 372.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]carbamate
Also Known As: Methyl (5-(((3-bromobenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)carbamate, methyl N-[5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]carbamate
| Molecular Formula | C12H12BrN3O2S2 |
|---|---|
| Molecular Weight | 372.96 g/mol |
| LogP | 3.9123 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.95544 |
| Heavy Atoms | 20 |
| Complexity | 591.58636 |
Chemical Identifiers
| CAS Number | 695160-49-7 |
|---|---|
| SMILES | COC(=O)NC1=NN=C(S1)CSCC2=CC(=CC=C2)Br |
Product Overview
Methyl (5-(((3-bromobenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)carbamate (CAS 695160-49-7), with molecular formula C12H12BrN3O2S2 and molecular weight 372.96 g/mol. IUPAC: methyl N-[5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]carbamate.
Chemical Property Profile of Methyl (5-(((3-bromobenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)carbamate
Property Insights of Methyl (5-(((3-bromobenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)carbamate
The XLogP value of 3.9123 indicates that Methyl (5-(((3-bromobenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)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 (5-(((3-bromobenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)carbamate. Following Lipinski's Rule of Five, Methyl (5-(((3-bromobenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)carbamate has 1 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 Methyl (5-(((3-bromobenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)carbamate?
The CAS number of Methyl (5-(((3-bromobenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)carbamate is 695160-49-7.
What is the molecular formula of Methyl (5-(((3-bromobenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)carbamate?
The molecular formula of Methyl (5-(((3-bromobenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)carbamate is C12H12BrN3O2S2.
What is the molecular weight of Methyl (5-(((3-bromobenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)carbamate?
The molecular weight of Methyl (5-(((3-bromobenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)carbamate is 372.96 g/mol.
Where can I buy Methyl (5-(((3-bromobenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)carbamate?
You can request a quote for Methyl (5-(((3-bromobenzyl)thio)methyl)-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-(((3-bromobenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (5-(((3-bromobenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.