4-(Dimethylamino)benzaldehyde thiosemicarbazone
Basic information
- CAS
2929-81-9- Standard SMILES
CN(C)c1ccc(/C=N/NC(N)=S)cc1- InChIKey
MUDHKEQEBJQRRG-KPKJPENVSA-N- Molecular formula
- C10H14N4S
- Average molar mass
- 222.31 g/mol
- Monoisotopic mass
- 222.09391764
Names & identifiers
- Preferred name
- 4-(Dimethylamino)benzaldehyde thiosemicarbazone
- IUPAC
- [(E)-[4-(dimethylamino)phenyl]methylideneamino]thiourea
- English name
- 4-(Dimethylamino)benzaldehyde thiosemicarbazone
- Molecular formula
- C10H14N4S
- Molecular weight
- 222.31
Names & synonyms
4-(Dimethylamino)benzaldehyde thiosemicarbazone2-(4-(Dimethylamino)benzylidene)hydrazinecarbothioamideCHEMBL241902p-(Dimethylamino)benzaldehyde thiosemicarbazoneMFCD00276108({[4-(dimethylamino)phenyl]methylidene}amino)thiourea[(E)-[4-(dimethylamino)phenyl]methylideneamino]thiourea2-{[4-(dimethylamino)phenyl]methylene}-1-hydrazinecarbothioamideSR-01000078544({(1E)-2-[4-(dimethylamino)phenyl]-1-azavinyl}amino)aminomethane-1-thioneSQ-24032-(4-(Dimethylamino)benzylidene)hydrazine-1-carbothioamide
Show more names
IFLAB-BB F0880-00102-[[4-(Dimethylamino)phenyl]methylene]hydrazinecarbothioamideHydrazinecarbothioamide, 2-[[4-(dimethylamino)phenyl]methylene]-
SCHEMBL4336882SCHEMBL13381423WLN: SUYZMNU1R DN1&1HMS544L22TIMTEC-BB SBB000616[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]thioureaNSC3266AKOS B004058
Database identifiers
- CAS
2929-81-9- PubChem CID
- 6436743
- ChEMBL
CHEMBL241902- Nikkaji
- J13.745F、J3.788.207K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
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Related reactions
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Compound notes
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