[[4,4-Dicyano-1-thiophen-2-yl-3-(2,4,6-trimethylphenyl)butylidene]amino]urea
Basic information
- CAS
5182-62-7- Standard SMILES
Cc1cc(C)c(C(CC(=NNC(N)=O)c2cccs2)C(C#N)C#N)c(C)c1- InChIKey
ZQEULMYYROGWOA-UHFFFAOYSA-N- Molecular formula
- C20H21N5OS
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.14668148
Names & identifiers
- Preferred name
- [[4,4-Dicyano-1-thiophen-2-yl-3-(2,4,6-trimethylphenyl)butylidene]amino]urea
- IUPAC
- [[4,4-dicyano-1-thiophen-2-yl-3-(2,4,6-trimethylphenyl)butylidene]amino]urea
Names & synonyms
[[4,4-dicyano-1-thiophen-2-yl-3-(2,4,6-trimethylphenyl)butylidene]amino]urea5182-62-7CBMicro_013402DTXSID10385330SMSF0004194CB03383BIM-0013245.P0012-[4,4-Dicyano-1-(thiophen-2-yl)-3-(2,4,6-trimethylphenyl)butylidene]hydrazine-1-carboxamide
Database identifiers
- CAS
5182-62-7- PubChem CID
- 2832273
- DTXSID
DTXSID10385330
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 632
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Compound notes
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