| CAS Number | 1273326-17-2 |
| Catalog Number | AG009WYX(AGN-PC-0WAC3S) |
| Chemical Name | 7-(Dimethylamino)benzo[c][1,2,5]thiadiazole-4-carbaldehyde |
| IUPAC Name | 4-(dimethylamino)-2,1,3-benzothiadiazole-7-carbaldehyde |
| InChI | InChI=1S/C9H9N3OS/c1-12(2)7-4-3-6(5-13)8-9(7)11-14-10-8/h3-5H,1-2H3 |
| InChI Key | DCEPOZLIDUBGTK-UHFFFAOYSA-N |
| MDL Number | MFCD23135917 |
| Molecular Formula | C9H9N3OS |
| Molecular Weight | 207.2523 |
| SMILES | CN(C1=CC=C(C=2C1=NSN2)C=O)C |
| Synonyms | 7-(DIMETHYLAMINO)BENZO[C][1,2,5]THIADIAZOLE-4-CARBALDEHYDE,
1273326-17-2,
KM3924,
ZINC95217995,
AKOS026672680,
Z9355,
C9H9N3OS,
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| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.251g/mol |
| Monoisotopic Mass | 207.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number