| CAS Number | 299953-00-7 |
| Catalog Number | AG007JVR(AGN-PC-0WAHVI) |
| Chemical Name | MRN-ATM Pathway Inhibitor, Mirin |
| IUPAC Name | 2-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one |
| InChI | InChI=1S/C10H8N2O2S/c11-10-12-9(14)8(15-10)5-6-1-3-7(13)4-2-6/h1-5,13H,(H2,11,12,14) |
| InChI Key | YBHQCJILTOVLHD-UHFFFAOYSA-N |
| MDL Number | MFCD05885480 |
| Molecular Formula | C10H8N2O2S |
| Molecular Weight | 220.2477 |
| SMILES | N=C(S/C1=CC2=CC=C(O)C=C2)NC1=O |
| Synonyms | 6-(4-hydroxyphenyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone,
mirin,
Mirin,
MRN-ATM Pathway Inhibitor, Mirin,
299953-00-7,
1198097-97-0,
AC1LAUBA,
CTK8F0344,
KS-00000TSR,
DTXSID20334359,
BCP17184,
AKOS030231717,
MCULE-6209756256,
KS-000019C6,
2-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one,
CID520459,
ZINC04473160,
5-(4-Hydroxybenzylidene)-2-iminothiazolidin-4-one,
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| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.246g/mol |
| Monoisotopic Mass | 220.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number