Acetone thiosemicarbazone
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CAS Number 1752-30-3
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Catalog Number io-1663
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Classification Amines
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Molecular Weight 131.2000
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SMILES CC(=NNC(=S)N)C
| Size | QTY | Notes | |
|---|---|---|---|
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| 1 | Acetone thiosemicarbazone |
| 2 | Acetonethiosemicarbazone |
| 3 | Thiosemicarbazone acetone |
| 4 | ACETONE THIOSEMICARBAZIDE |
| 5 | Acetone, thiosemicarbazone |
| Molecular Formula | C4H9N3S |
|---|---|
| Canonical SMILES | CC(=NNC(=S)N)C |
| Isomeric SMILES | CC(=NNC(=S)N)C |
| Molecular Weight | 131.2000 |
| InChIKey | FQUDPIIGGVBZEQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C4H9N3S/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8) |
| XLogP | -0.2000 |
| ExactMass | 131.0517 |
| MonoisotopicMass | 131.0517 |
| TPSA | 82.5000 |
| Complexity | 115.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 2 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 8 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 314 |
| PatentFamilyCount | 167 |
| LiteratureCount | 37 |
