Thiophene-2-aldoxime
PubChem CID: 6876527
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| Compound Synonyms | Thiophene-2-carbaldehyde oxime, 29683-84-9, 2-Thiophenecarboxaldehyde, oxime, Thiophene-2-Carboxaldoxime, Thiophene-2-aldoxime, 38266-87-4, 2-Thiophenealdehyde oxime, NSC 110538, 4W6UB726D3, EINECS 249-778-5, NSC-110538, AI3-62727, 2-THIOPHENECARBOXALDOXIME, 2-Thiophenecarboxaldehyde,oxime,(E)-(9CI), N-[(thiophen-2-yl)methylidene]hydroxylamine, (NE)-N-(thiophen-2-ylmethylidene)hydroxylamine, Thiophene-2-carbaldehydeoxime, DTXSID701301272, (E)-thiophene-2-carbaldehyde oxime, Thiophen-2-aldoxim, MFCD00022509, NSC110538, 2-Formylthiophene oxime, UNII-4W6UB726D3, CHEMBL2420347, (E)-Thiophene-2-carbaldehydeoxime, DTXCID801731367, HMS1366N08, ALBB-013614, STK020602, 2-THIOPHENECARBOXALDEHYDE OXIME, AKOS000278533, AKOS025312344, NCGC00331488-01, AS-61146, CS-0171538, (E)-N-hydroxy-1-(thiophen-2-yl)methanimine, EN300-06079, 1M-923, (E)-N-[(thiophen-2-yl)methylidene]hydroxylamine, AB01096985-03, Q27461807, Z49568302, 249-778-5 |
|---|---|
| Topological Polar Surface Area | 60.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 94.4 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P22303, O42275 |
| Iupac Name | (NE)-N-(thiophen-2-ylmethylidene)hydroxylamine |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C5H5NOS |
| Prediction Swissadme | 0.0 |
| Inchi Key | GASLBPLHYRZLLT-GQCTYLIASA-N |
| Fcsp3 | 0.0 |
| Logs | -1.684 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.153 |
| Compound Name | Thiophene-2-aldoxime |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 127.009 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 127.009 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 127.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.2408416 |
| Inchi | InChI=1S/C5H5NOS/c7-6-4-5-2-1-3-8-5/h1-4,7H/b6-4+ |
| Smiles | C1=CSC(=C1)/C=N/O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capparis Spinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all