Benzaldehyde, p-isopropoxy-, 3-thiosemicarbazone
Basic information
- CAS
20718-93-8- Standard SMILES
CC(C)Oc1ccc(/C=N/NC(N)=S)cc1- InChIKey
VSHYCEDNTUAAAQ-UHFFFAOYSA-N- Molecular formula
- C11H15N3OS
- Average molar mass
- 237.32 g/mol
- Monoisotopic mass
- 237.09358328
Names & identifiers
- Preferred name
- Benzaldehyde, p-isopropoxy-, 3-thiosemicarbazone
- IUPAC
- [(E)-(4-propan-2-yloxyphenyl)methylideneamino]thiourea
- English name
- p-Isopropoxybenzaldehyde thiosemicarbazone
- Molecular formula
- C11H15N3OS
- Molecular weight
- 237.32
Names & synonyms
20718-93-8Benzaldehyde, p-isopropoxy-, 3-thiosemicarbazoneRefChem:1077921p-Isopropoxybenzaldehyde thiosemicarbazone4-isopropoxybenzaldehyde thiosemicarbazonep-Isopropoxybenzaldehyde 3-thiosemicarbazoneBRN 3140248[(E)-(4-propan-2-yloxyphenyl)methylideneamino]thiourea4-08-00-00284 (Beilstein Handbook Reference)MLS000573072CHEMBL3191540STK547894
Show more names
Hydrazinecarbothioamide, 2-[[4-(1-methylethoxy)phenyl]methylene]-
AKOS005475894NCGC00245580-01SMR000185002AB00076472-01SR-01000200568SR-01000200568-1(E)-2-(4-isopropoxybenzylidene)hydrazinecarbothioamide(2E)-2-[4-(propan-2-yloxy)benzylidene]hydrazinecarbothioamide
Database identifiers
- CAS
20718-93-8- PubChem CID
- 5331382
- ChEMBL
CHEMBL3191540- Nikkaji
- J148.946A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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