N,3,5,5-tetramethyl-1,3,4-thiadiazolidin-2-imine
TL;DR: N,3,5,5-tetramethyl-1,3,4-thiadiazolidin-2-imine (CAS 72018-44-1) is a chemical compound with molecular formula C6H13N3S and molecular weight 159.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,3,5,5-tetramethyl-1,3,4-thiadiazolidin-2-imine
Also Known As: N,3,5,5-tetramethyl-1,3,4-thiadiazolidin-2-imine, (2Z)-N,3,5,5-Tetramethyl-1,3,4-thiadiazolidin-2-imine
| Molecular Formula | C6H13N3S |
|---|---|
| Molecular Weight | 159.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.08302 |
| Heavy Atoms | 10 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 72018-44-1 |
|---|---|
| SMILES | CC1(NN(C(=NC)S1)C)C |
| InChIKey | KYJYAILLUZDNKC-UHFFFAOYSA-N |
Product Overview
N,3,5,5-tetramethyl-1,3,4-thiadiazolidin-2-imine (CAS 72018-44-1), with molecular formula C6H13N3S and molecular weight 159.08 g/mol. IUPAC: N,3,5,5-tetramethyl-1,3,4-thiadiazolidin-2-imine.
Chemical Property Profile of N,3,5,5-tetramethyl-1,3,4-thiadiazolidin-2-imine
Property Insights of N,3,5,5-tetramethyl-1,3,4-thiadiazolidin-2-imine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,3,5,5-tetramethyl-1,3,4-thiadiazolidin-2-imine. With a topological polar surface area (TPSA) of 52.9 Ų, N,3,5,5-tetramethyl-1,3,4-thiadiazolidin-2-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,3,5,5-tetramethyl-1,3,4-thiadiazolidin-2-imine has 1 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,3,5,5-tetramethyl-1,3,4-thiadiazolidin-2-imine?
The CAS number of N,3,5,5-tetramethyl-1,3,4-thiadiazolidin-2-imine is 72018-44-1.
What is the molecular formula of N,3,5,5-tetramethyl-1,3,4-thiadiazolidin-2-imine?
The molecular formula of N,3,5,5-tetramethyl-1,3,4-thiadiazolidin-2-imine is C6H13N3S.
What is the molecular weight of N,3,5,5-tetramethyl-1,3,4-thiadiazolidin-2-imine?
The molecular weight of N,3,5,5-tetramethyl-1,3,4-thiadiazolidin-2-imine is 159.08 g/mol.
Where can I buy N,3,5,5-tetramethyl-1,3,4-thiadiazolidin-2-imine?
You can request a quote for N,3,5,5-tetramethyl-1,3,4-thiadiazolidin-2-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,3,5,5-tetramethyl-1,3,4-thiadiazolidin-2-imine?
Yes, KEHONG BIO provides custom synthesis services for N,3,5,5-tetramethyl-1,3,4-thiadiazolidin-2-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.