| CAS Number | 1007563-29-2 |
| Catalog Number | AG01A4IC(AGN-PC-0WOLBB) |
| Chemical Name | N-methyl-4-(2-nitrophenyl)-1,3-thiazol-2-amine |
| IUPAC Name | N-methyl-4-(2-nitrophenyl)-1,3-thiazol-2-amine |
| InChI | InChI=1S/C10H9N3O2S/c1-11-10-12-8(6-16-10)7-4-2-3-5-9(7)13(14)15/h2-6H,1H3,(H,11,12) |
| InChI Key | AXVLTSPWCPQVCS-UHFFFAOYSA-N |
| MDL Number | MFCD17258259 |
| Molecular Formula | C10H9N3O2S |
| Molecular Weight | 235.2624 |
| SMILES | CNC1SC=C(C2=C([N+]([O-])=O)C=CC=C2)N=1 |
| Synonyms | N-methyl-4-(2-nitrophenyl)-1,3-thiazol-2-amine,
1007563-29-2,
SCHEMBL1915932,
ZINC61714278,
AKOS012239237,
MCULE-4859939847,
NE37102,
N-METHYL-4-(2-NITROPHENYL)-2-THIAZOLAMINE,
Z1592042225,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.261g/mol |
| Monoisotopic Mass | 235.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 99A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number