N,N-dimethyl-N'-1H-1,2,4-triazol-3-yl-thiourea
TL;DR: N,N-dimethyl-N'-1H-1,2,4-triazol-3-yl-thiourea (CAS 72601-96-8) is a chemical compound with molecular formula C5H9N5S and molecular weight 171.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dimethyl-3-(1H-1,2,4-triazol-5-yl)thiourea
Also Known As: N,N-DIMETHYL-N'-1H-1,2,4-TRIAZOL-3-YL-THIOUREA, N,N-Dimethyl-N'-1H-1,2,4-triazol-3-ylthiourea, 1,1-dimethyl-3-(1H-1,2,4-triazol-5-yl)thiourea, N,N-Dimethyl-N'-(1H-1,2,4-triazol-5-yl)thiourea, Thiourea, N,N-dimethyl-N'-1H-1,2,4-triazol-3-yl-
| Molecular Formula | C5H9N5S |
|---|---|
| Molecular Weight | 171.06 g/mol |
| LogP | 0.0631 |
| Topological Polar Surface Area | 56.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.05786 |
| Heavy Atoms | 11 |
| Complexity | 229.03064 |
Chemical Identifiers
| CAS Number | 72601-96-8 |
|---|---|
| SMILES | CN(C)C(=S)NC1=NC=NN1 |
Product Overview
N,N-dimethyl-N'-1H-1,2,4-triazol-3-yl-thiourea (CAS 72601-96-8), with molecular formula C5H9N5S and molecular weight 171.06 g/mol. IUPAC: 1,1-dimethyl-3-(1H-1,2,4-triazol-5-yl)thiourea.
Chemical Property Profile of N,N-dimethyl-N'-1H-1,2,4-triazol-3-yl-thiourea
Property Insights of N,N-dimethyl-N'-1H-1,2,4-triazol-3-yl-thiourea
The XLogP value of 0.0631 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-dimethyl-N'-1H-1,2,4-triazol-3-yl-thiourea. With a topological polar surface area (TPSA) of 56.84 Ų, N,N-dimethyl-N'-1H-1,2,4-triazol-3-yl-thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-dimethyl-N'-1H-1,2,4-triazol-3-yl-thiourea has 2 hydrogen bond donor(s) and 3 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 N,N-dimethyl-N'-1H-1,2,4-triazol-3-yl-thiourea?
The CAS number of N,N-dimethyl-N'-1H-1,2,4-triazol-3-yl-thiourea is 72601-96-8.
What is the molecular formula of N,N-dimethyl-N'-1H-1,2,4-triazol-3-yl-thiourea?
The molecular formula of N,N-dimethyl-N'-1H-1,2,4-triazol-3-yl-thiourea is C5H9N5S.
What is the molecular weight of N,N-dimethyl-N'-1H-1,2,4-triazol-3-yl-thiourea?
The molecular weight of N,N-dimethyl-N'-1H-1,2,4-triazol-3-yl-thiourea is 171.06 g/mol.
Where can I buy N,N-dimethyl-N'-1H-1,2,4-triazol-3-yl-thiourea?
You can request a quote for N,N-dimethyl-N'-1H-1,2,4-triazol-3-yl-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-dimethyl-N'-1H-1,2,4-triazol-3-yl-thiourea?
Yes, KEHONG BIO provides custom synthesis services for N,N-dimethyl-N'-1H-1,2,4-triazol-3-yl-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.