| CAS Number | 938459-16-6 |
| Catalog Number | AG00GVKX(AGN-PC-0WB441) |
| Chemical Name | 5-[(4-Methyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde |
| IUPAC Name | 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-carbaldehyde |
| InChI | InChI=1S/C8H7N3O2S/c1-11-5-9-10-8(11)14-7-3-2-6(4-12)13-7/h2-5H,1H3 |
| InChI Key | KMBWSLQWLYHFMA-UHFFFAOYSA-N |
| MDL Number | MFCD09055399 |
| Molecular Formula | C8H7N3O2S |
| Molecular Weight | 209.2251 |
| SMILES | C1(=NN=CN1C)SC1=CC=C(C=O)O1 |
| Synonyms | 938459-16-6,
5-[(4-Methyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde,
5-[(4-Methyl-4H-1,2,4-triazol-3-yl)sulfanyl]furan-2-carbaldehyde,
CTK5H3524,
DTXSID30651049,
MFCD09055399,
ZINC19093588,
AKOS013115025,
Y-5213,
5-((4-Methyl-4H-1,2,4-triazol-3-yl)thio)furan-2-carbaldehyde,
5-[(4-Methyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde, AldrichCPR,
5-[ THIO]-2-FURALDEHYDE,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.223g/mol |
| Monoisotopic Mass | 209.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 86.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number