![methyl N-[(5-amino-1-benzyltriazol-4-yl)methyl]carbamodithioate structure](/static/products/7605/76055-35-1.webp)
methyl N-[(5-amino-1-benzyltriazol-4-yl)methyl]carbamodithioate
TL;DR: methyl N-[(5-amino-1-benzyltriazol-4-yl)methyl]carbamodithioate (CAS 76055-35-1) is a chemical compound with molecular formula C12H15N5S2 and molecular weight 293.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[(5-amino-1-benzyltriazol-4-yl)methyl]carbamodithioate
Also Known As: 1H-1,2,3-Triazole, carbamodithioic acid deriv., 1H-1,3-Triazole, carbamodithioic acid deriv., methyl N-[(5-amino-1-benzyltriazol-4-yl)methyl]carbamodithioate, Carbamodithioic acid,2,3-triazol-4-yl]methyl]-, methyl ester, methyl N-[(5-amino-1-benzyl-triazol-4-yl)methyl]carbamodithioate
| Molecular Formula | C12H15N5S2 |
|---|---|
| Molecular Weight | 293.08 g/mol |
| LogP | 1.6461 |
| Topological Polar Surface Area | 68.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.07687 |
| Heavy Atoms | 19 |
| Complexity | 552.5023 |
Chemical Identifiers
| CAS Number | 76055-35-1 |
|---|---|
| SMILES | CSC(=S)NCC1=C(N(N=N1)CC2=CC=CC=C2)N |
Product Overview
methyl N-[(5-amino-1-benzyltriazol-4-yl)methyl]carbamodithioate (CAS 76055-35-1), with molecular formula C12H15N5S2 and molecular weight 293.08 g/mol. IUPAC: methyl N-[(5-amino-1-benzyltriazol-4-yl)methyl]carbamodithioate.
Chemical Property Profile of methyl N-[(5-amino-1-benzyltriazol-4-yl)methyl]carbamodithioate
Property Insights of methyl N-[(5-amino-1-benzyltriazol-4-yl)methyl]carbamodithioate
The XLogP value of 1.6461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[(5-amino-1-benzyltriazol-4-yl)methyl]carbamodithioate. The TPSA of 68.76 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[(5-amino-1-benzyltriazol-4-yl)methyl]carbamodithioate. Following Lipinski's Rule of Five, methyl N-[(5-amino-1-benzyltriazol-4-yl)methyl]carbamodithioate has 2 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 N-[(5-amino-1-benzyltriazol-4-yl)methyl]carbamodithioate?
The CAS number of methyl N-[(5-amino-1-benzyltriazol-4-yl)methyl]carbamodithioate is 76055-35-1.
What is the molecular formula of methyl N-[(5-amino-1-benzyltriazol-4-yl)methyl]carbamodithioate?
The molecular formula of methyl N-[(5-amino-1-benzyltriazol-4-yl)methyl]carbamodithioate is C12H15N5S2.
What is the molecular weight of methyl N-[(5-amino-1-benzyltriazol-4-yl)methyl]carbamodithioate?
The molecular weight of methyl N-[(5-amino-1-benzyltriazol-4-yl)methyl]carbamodithioate is 293.08 g/mol.
Where can I buy methyl N-[(5-amino-1-benzyltriazol-4-yl)methyl]carbamodithioate?
You can request a quote for methyl N-[(5-amino-1-benzyltriazol-4-yl)methyl]carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-[(5-amino-1-benzyltriazol-4-yl)methyl]carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-[(5-amino-1-benzyltriazol-4-yl)methyl]carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.