N-(4-butylphenyl)-2-{[1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazol-5-yl]carbonyl}-1-hydrazinecarbothioamide
Basic information
- CAS
865659-81-0- Standard SMILES
CCCCc1ccc(NC(=S)NNC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)cc1- InChIKey
FEHXDQJZHSGUCD-UHFFFAOYSA-N- Molecular formula
- C19H20F3N5OS2
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.10613711
Names & identifiers
- Preferred name
- N-(4-butylphenyl)-2-{[1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazol-5-yl]carbonyl}-1-hydrazinecarbothioamide
- IUPAC
- 1-(4-butylphenyl)-3-[[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carbonyl]amino]thiourea
Names & synonyms
865659-81-0N-(4-butylphenyl)-2-{[1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazol-5-yl]carbonyl}-1-hydrazinecarbothioamideN-{[(4-butylphenyl)carbamothioyl]amino}-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide1-(4-butylphenyl)-3-[[1-methyl-3-(trifluoromethyl)thieno[2,3-c]pyrazole-5-carbonyl]amino]thioureaDTXSID801105279AKOS0050910523X-03261-Methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxylic acid 2-[[(4-butylphenyl)amino]thioxomethyl]hydrazideN-(4-butylphenyl)-2-(1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carbonyl)hydrazine-1-carbothioamide
Database identifiers
- CAS
865659-81-0- PubChem CID
- 3343979
- DTXSID
DTXSID801105279
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 615
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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