| CAS Number | 201227-23-8 |
| Catalog Number | AG002DA9(AGN-PC-0WAN55) |
| Chemical Name | 5-Bromo-3-(methylthio)-1H-indazole |
| IUPAC Name | 5-bromo-3-methylsulfanyl-1H-indazole |
| InChI | InChI=1S/C8H7BrN2S/c1-12-8-6-4-5(9)2-3-7(6)10-11-8/h2-4H,1H3,(H,10,11) |
| InChI Key | BGLZAKHTTIEEMC-UHFFFAOYSA-N |
| MDL Number | MFCD13183072 |
| Molecular Formula | C8H7BrN2S |
| Molecular Weight | 243.1236 |
| SMILES | CSC1=NNC2=C1C=C(Br)C=C2 |
| Synonyms | 5-Bromo-3-(methylthio)-1H-indazole,
201227-23-8,
AK138976,
1H-Indazole, 5-bromo-3-(methylthio)-,
SCHEMBL15798958,
KS-00000RSD,
DTXSID60705908,
BGLZAKHTTIEEMC-UHFFFAOYSA-N,
MFCD13183072,
ZINC82156539,
1h-indazole,5-bromo-3-(methylthio)-,
5-bromo-3-methylsulfanyl-1H-indazole,
AKOS022174342,
DS-6496,
FCH1380489,
5-Bromo-3-(methylsulfanyl)-1H-indazole,
AJ-125069,
AX8260581,
ST24044460,
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| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.122g/mol |
| Monoisotopic Mass | 241.951g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number