| CAS Number | 6839-91-4 |
| Catalog Number | AG00640C(AGN-PC-00J1LS) |
| Chemical Name | Di(2-pyridyl) ketone thiosemicarbazone |
| IUPAC Name | (dipyridin-2-ylmethylideneamino)thiourea |
| InChI | InChI=1S/C12H11N5S/c13-12(18)17-16-11(9-5-1-3-7-14-9)10-6-2-4-8-15-10/h1-8H,(H3,13,17,18) |
| InChI Key | NTFYASWWOZAMQZ-UHFFFAOYSA-N |
| MDL Number | MFCD26097263 |
| Molecular Formula | C12H11N5S |
| Molecular Weight | 257.3142 |
| SMILES | C1C=C(/C(/C2N=CC=CC=2)=N/NC(N)=S)N=CC=1 |
| Synonyms | 6839-91-4,
Di(2-pyridyl) ketone thiosemicarbazone,
di-2-pyridylketone thiosemicarbazone,
2-(dipyridin-2-ylmethylene)hydrazinecarbothioamide,
Hydrazinecarbothioamide, 2-(di-2-pyridinylmethylene)-,
SCHEMBL800985,
CHEMBL385873,
CTK1J2172,
DTXSID40474968,
di-2-pyridyl ketone thiosemicarbazone,
ZINC40767064,
[bis(2-pyridyl)methyleneamino]thiourea,
Bis(2-pyridyl) ketone thiosemicarbazone,
{[Bis(pyridin-2-yl)methylidene]amino}thiourea,
2-[di(Pyridin-2-yl)methylidene]hydrazinecarbothioamide,
(dipyridin-2-ylmethylideneamino)thiourea,
CID11973909,
DPT,
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| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.315g/mol |
| Monoisotopic Mass | 257.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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