| CAS Number | 1925-76-4 |
| Catalog Number | AG00I2VD(AGN-PC-0NKEQ3) |
| Chemical Name | 1,3,4-Thiadiazole, 2-methoxy-5-methyl- |
| IUPAC Name | 2-methoxy-5-methyl-1,3,4-thiadiazole |
| InChI | InChI=1S/C4H6N2OS/c1-3-5-6-4(7-2)8-3/h1-2H3 |
| InChI Key | GHMYWMDTOIYYMT-UHFFFAOYSA-N |
| MDL Number | MFCD21146134 |
| Molecular Formula | C4H6N2OS |
| Molecular Weight | 130.1682 |
| SMILES | CC1=NN=C(S1)OC |
| Synonyms | 2-methoxy-5-methyl-1,3,4-thiadiazole,
1925-76-4,
2-methoxy-5-methyl-[1,3,4]thiadiazole,
SCHEMBL7050276,
ALBB-030301,
ZINC39302471,
NE25591,
1,3,4-Thiadiazole, 2-methoxy-5-methyl-,
|
| Complexity | 80.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 130.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 130.165g/mol |
| Monoisotopic Mass | 130.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number