Hydrazinecarbothioamide, 2-[(3-hydroxy-4-methoxyphenyl)methylene]-
PubChem CID: 704492
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| Compound Synonyms | 14453-26-0, Hydrazinecarbothioamide, 2-[(3-hydroxy-4-methoxyphenyl)methylene]-, DTXSID60351601, AKOS017263491 |
|---|---|
| Topological Polar Surface Area | 112.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 248.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C9H11N3O2S |
| Prediction Swissadme | 0.0 |
| Inchi Key | ARINKVDYBABITQ-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -2.074 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.182 |
| Compound Name | Hydrazinecarbothioamide, 2-[(3-hydroxy-4-methoxyphenyl)methylene]- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 225.057 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 225.057 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 225.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.1695926 |
| Inchi | InChI=1S/C9H11N3O2S/c1-14-8-3-2-6(4-7(8)13)5-11-12-9(10)15/h2-5,13H,1H3,(H3,10,12,15) |
| Smiles | COC1=C(C=C(C=C1)C=NNC(=S)N)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Rosa Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients