5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazole-2(3H)-thione
TL;DR: 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazole-2(3H)-thione (CAS 347846-68-8) is a chemical compound with molecular formula C9H10N4OS2 and molecular weight 254.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione
Also Known As: ChemDiv2_004129, IDI1_002844, BAS 15425066, 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazole-2(3H)-thione, F1145-0004
| Molecular Formula | C9H10N4OS2 |
|---|---|
| Molecular Weight | 254.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.0296 |
| Heavy Atoms | 16 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 347846-68-8 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC2=NNC(=S)O2)C |
| InChIKey | IMUOLEDPNVPJMP-UHFFFAOYSA-N |
Product Overview
5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazole-2(3H)-thione (CAS 347846-68-8), with molecular formula C9H10N4OS2 and molecular weight 254.03 g/mol. IUPAC: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazole-2(3H)-thione
Property Insights of 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazole-2(3H)-thione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazole-2(3H)-thione. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazole-2(3H)-thione. Following Lipinski's Rule of Five, 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazole-2(3H)-thione has 1 hydrogen bond donor(s) and 6 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 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazole-2(3H)-thione?
The CAS number of 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazole-2(3H)-thione is 347846-68-8.
What is the molecular formula of 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazole-2(3H)-thione?
The molecular formula of 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazole-2(3H)-thione is C9H10N4OS2.
What is the molecular weight of 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazole-2(3H)-thione?
The molecular weight of 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazole-2(3H)-thione is 254.03 g/mol.
Where can I buy 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazole-2(3H)-thione?
You can request a quote for 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.