1,3,4-Thiadiazole-2(3H)-thione, 3,5-dimethyl-
TL;DR: 1,3,4-Thiadiazole-2(3H)-thione, 3,5-dimethyl- (CAS 7111-96-8) is a chemical compound with molecular formula C4H6N2S2 and molecular weight 146.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-1,3,4-thiadiazole-2-thione
Also Known As: 1,3,4-Thiadiazole-2(3H)-thione, 3,5-dimethyl-, .delta.2-1,3,4-Thiadiazoline-5-thione, 2,4-dimethyl-, 3,5-dimethyl-1,3,4-thiadiazole-2-thione, 3,5-dimethyl-3H-[1,3,4]thiadiazole-2-thione, 3,5-Dimethyl-1,3,4-thiadiazole-2(3H)-thione
| Molecular Formula | C4H6N2S2 |
|---|---|
| Molecular Weight | 146.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 73.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.99724 |
| Heavy Atoms | 8 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 7111-96-8 |
|---|---|
| SMILES | CC1=NN(C(=S)S1)C |
| InChIKey | SXGPSEUHDNWBQE-UHFFFAOYSA-N |
Product Overview
1,3,4-Thiadiazole-2(3H)-thione, 3,5-dimethyl- (CAS 7111-96-8), with molecular formula C4H6N2S2 and molecular weight 146.00 g/mol. IUPAC: 3,5-dimethyl-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 1,3,4-Thiadiazole-2(3H)-thione, 3,5-dimethyl-
Property Insights of 1,3,4-Thiadiazole-2(3H)-thione, 3,5-dimethyl-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-Thiadiazole-2(3H)-thione, 3,5-dimethyl-. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-Thiadiazole-2(3H)-thione, 3,5-dimethyl-. Following Lipinski's Rule of Five, 1,3,4-Thiadiazole-2(3H)-thione, 3,5-dimethyl- has 0 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 1,3,4-Thiadiazole-2(3H)-thione, 3,5-dimethyl-?
The CAS number of 1,3,4-Thiadiazole-2(3H)-thione, 3,5-dimethyl- is 7111-96-8.
What is the molecular formula of 1,3,4-Thiadiazole-2(3H)-thione, 3,5-dimethyl-?
The molecular formula of 1,3,4-Thiadiazole-2(3H)-thione, 3,5-dimethyl- is C4H6N2S2.
What is the molecular weight of 1,3,4-Thiadiazole-2(3H)-thione, 3,5-dimethyl-?
The molecular weight of 1,3,4-Thiadiazole-2(3H)-thione, 3,5-dimethyl- is 146.00 g/mol.
Where can I buy 1,3,4-Thiadiazole-2(3H)-thione, 3,5-dimethyl-?
You can request a quote for 1,3,4-Thiadiazole-2(3H)-thione, 3,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Thiadiazole-2(3H)-thione, 3,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Thiadiazole-2(3H)-thione, 3,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.