| CAS Number | 1081803-34-0 |
| Catalog Number | AG003MHO(AGN-PC-0WAB56) |
| Chemical Name | 5-Bromo-2-methyl-4-thiocyanatoaniline |
| IUPAC Name | (4-amino-2-bromo-5-methylphenyl) thiocyanate |
| InChI | InChI=1S/C8H7BrN2S/c1-5-2-8(12-4-10)6(9)3-7(5)11/h2-3H,11H2,1H3 |
| InChI Key | LLLTVSFIYBDXRB-UHFFFAOYSA-N |
| MDL Number | MFCD11855817 |
| Molecular Formula | C8H7BrN2S |
| Molecular Weight | 243.1236 |
| SMILES | N#CSc1cc(C)c(cc1Br)N |
| Synonyms | 5-Bromo-2-methyl-4-thiocyanatoaniline,
1081803-34-0,
ACMC-2098z6,
CTK4A5898,
DTXSID00674927,
ANW-15904,
MFCD11855817,
ZINC38537365,
AKOS015834014,
RTR-001915,
4-Amino-2-bromo-5-methylphenyl thiocyanate,
TR-001915,
Z7205,
(4-amino-2-bromo-5-methylphenyl) thiocyanate,
I09-2124,
C8H7BrN2S,
A-4890,
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| Complexity | 201 |
| 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 | 3 |
| 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 | 75.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number