1-methyl-5-sulfanylidene-2H-triazole-4-carbothioamide
TL;DR: 1-methyl-5-sulfanylidene-2H-triazole-4-carbothioamide (CAS 100097-69-6) is a chemical compound with molecular formula C4H6N4S2 and molecular weight 174.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-sulfanylidene-2H-triazole-4-carbothioamide
Also Known As: TOS-BB-0626, 1-methyl-5-sulfanylidene-2H-triazole-4-carbothioamide, 5-mercapto-1-methyl-1H-1,2,3-triazole-4-carbothioamide, 1H-1,2,3-Triazole-4-carbothioamide,5-mercapto-1-methyl-(9CI), 1-methyl-5-sulfanyl-1H-1,2,3-triazole-4-carbothioamide
| Molecular Formula | C4H6N4S2 |
|---|---|
| Molecular Weight | 174.00 g/mol |
| LogP | 0.11189 |
| Topological Polar Surface Area | 59.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.00339 |
| Heavy Atoms | 10 |
| Complexity | 309.30264 |
Chemical Identifiers
| CAS Number | 100097-69-6 |
|---|---|
| SMILES | CN1C(=S)C(=NN1)C(=S)N |
Product Overview
1-methyl-5-sulfanylidene-2H-triazole-4-carbothioamide (CAS 100097-69-6), with molecular formula C4H6N4S2 and molecular weight 174.00 g/mol. IUPAC: 1-methyl-5-sulfanylidene-2H-triazole-4-carbothioamide.
Chemical Property Profile of 1-methyl-5-sulfanylidene-2H-triazole-4-carbothioamide
Property Insights of 1-methyl-5-sulfanylidene-2H-triazole-4-carbothioamide
The XLogP value of 0.11189 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-5-sulfanylidene-2H-triazole-4-carbothioamide. With a topological polar surface area (TPSA) of 59.63 Ų, 1-methyl-5-sulfanylidene-2H-triazole-4-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-5-sulfanylidene-2H-triazole-4-carbothioamide 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 1-methyl-5-sulfanylidene-2H-triazole-4-carbothioamide?
The CAS number of 1-methyl-5-sulfanylidene-2H-triazole-4-carbothioamide is 100097-69-6.
What is the molecular formula of 1-methyl-5-sulfanylidene-2H-triazole-4-carbothioamide?
The molecular formula of 1-methyl-5-sulfanylidene-2H-triazole-4-carbothioamide is C4H6N4S2.
What is the molecular weight of 1-methyl-5-sulfanylidene-2H-triazole-4-carbothioamide?
The molecular weight of 1-methyl-5-sulfanylidene-2H-triazole-4-carbothioamide is 174.00 g/mol.
Where can I buy 1-methyl-5-sulfanylidene-2H-triazole-4-carbothioamide?
You can request a quote for 1-methyl-5-sulfanylidene-2H-triazole-4-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-5-sulfanylidene-2H-triazole-4-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-5-sulfanylidene-2H-triazole-4-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.