| CAS Number | 1370007-54-7 |
| Catalog Number | AG01DHGW(AGN-PC-0WG41C) |
| Chemical Name | 7-bromo-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine |
| IUPAC Name | 7-bromo-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine |
| InChI | InChI=1S/C7H6BrN3S/c1-12-7-5-2-3-6(8)11(5)10-4-9-7/h2-4H,1H3 |
| InChI Key | FNVWNYDVMCWRQD-UHFFFAOYSA-N |
| MDL Number | MFCD28962673 |
| Molecular Formula | C7H6BrN3S |
| Molecular Weight | 244.1116 |
| SMILES | CSc1ncnn2c1ccc2Br |
| Synonyms | 1370007-54-7,
7-Bromo-4-(methylthio)pyrrolo[2,1-f][1,2,4]triazine,
SCHEMBL866465,
7-bromo-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine,
FNVWNYDVMCWRQD-UHFFFAOYSA-N,
MFCD28962673,
ZINC114733660,
AS-54908,
7-bromo-4-methylsulfanyl-pyrrolo[2,1-f][1,2,4]triazine,
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| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.11g/mol |
| Monoisotopic Mass | 242.947g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number