| CAS Number | 1596350-40-1 |
| Catalog Number | AG001R92(AGN-PC-0WG41B) |
| Chemical Name | Pyrrolo[2,1-f][1,2,4]triazine, 4-(methylthio)- |
| IUPAC Name | 4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine |
| InChI | InChI=1S/C7H7N3S/c1-11-7-6-3-2-4-10(6)9-5-8-7/h2-5H,1H3 |
| InChI Key | NZVMANGDZUBESL-UHFFFAOYSA-N |
| MDL Number | MFCD28674592 |
| Molecular Formula | C7H7N3S |
| Molecular Weight | 165.2156 |
| SMILES | S(C)c1c2n(ccc2)ncn1 |
| Synonyms | 4-(Methylthio)pyrrolo[2,1-f][1,2,4]triazine,
1596350-40-1,
Pyrrolo[2,1-f][1,2,4]triazine, 4-(methylthio)-,
4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine,
SCHEMBL15682806,
NZVMANGDZUBESL-UHFFFAOYSA-N,
MFCD28674592,
ZINC148154435,
CS-0038323,
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| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.214g/mol |
| Monoisotopic Mass | 165.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number