![2-Sulfanylidene-3,5,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one structure](/static/products/887/887201-49-2.png)
2-Sulfanylidene-3,5,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one
TL;DR: 2-Sulfanylidene-3,5,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one (CAS 887201-49-2) is a chemical compound with molecular formula C6H7N3OS2 and molecular weight 201.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidene-3,5,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one
Also Known As: 2-mercapto-6,7-dihydro[1,3,4]thiadiazolo[3,2-{a}][1,3]diazepin-8(5{H})-one, 2-sulfanyl-5H,6H,7H,8H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one, F1386-0158, 2-sulfanylidene-3,5,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one, 2-Thioxo-2,3,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one
| Molecular Formula | C6H7N3OS2 |
|---|---|
| Molecular Weight | 201.00 g/mol |
| LogP | 0.5011 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.00305 |
| Heavy Atoms | 12 |
| Complexity | 275.96677 |
Chemical Identifiers
| CAS Number | 887201-49-2 |
|---|---|
| SMILES | C1CC(=O)N=C2N(C1)NC(=S)S2 |
Product Overview
2-Sulfanylidene-3,5,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one (CAS 887201-49-2), with molecular formula C6H7N3OS2 and molecular weight 201.00 g/mol. IUPAC: 2-sulfanylidene-3,5,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one.
Chemical Property Profile of 2-Sulfanylidene-3,5,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one
Property Insights of 2-Sulfanylidene-3,5,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one
The XLogP value of 0.5011 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Sulfanylidene-3,5,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one. With a topological polar surface area (TPSA) of 44.7 Ų, 2-Sulfanylidene-3,5,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Sulfanylidene-3,5,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one has 1 hydrogen bond donor(s) and 4 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 2-Sulfanylidene-3,5,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one?
The CAS number of 2-Sulfanylidene-3,5,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one is 887201-49-2.
What is the molecular formula of 2-Sulfanylidene-3,5,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one?
The molecular formula of 2-Sulfanylidene-3,5,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one is C6H7N3OS2.
What is the molecular weight of 2-Sulfanylidene-3,5,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one?
The molecular weight of 2-Sulfanylidene-3,5,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one is 201.00 g/mol.
Where can I buy 2-Sulfanylidene-3,5,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one?
You can request a quote for 2-Sulfanylidene-3,5,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Sulfanylidene-3,5,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Sulfanylidene-3,5,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.