1-[(4-Methoxyphenyl)methylideneamino]-3-(2-methylpropyl)thiourea
Basic information
- CAS
6622-87-3- Standard SMILES
COc1ccc(C=NNC(=S)NCC(C)C)cc1- InChIKey
LDHBDTCZJCNWJN-UHFFFAOYSA-N- Molecular formula
- C13H19N3OS
- Average molar mass
- 265.38 g/mol
- Monoisotopic mass
- 265.12488341
Names & identifiers
- Preferred name
- 1-[(4-Methoxyphenyl)methylideneamino]-3-(2-methylpropyl)thiourea
- IUPAC
- 1-[(4-methoxyphenyl)methylideneamino]-3-(2-methylpropyl)thiourea
Names & synonyms
6622-87-31-[(4-methoxyphenyl)methylideneamino]-3-(2-methylpropyl)thioureaNCIOpen2_002228DTXSID40984714DS-0003622-[(4-Methoxyphenyl)methylidene]-N-(2-methylpropyl)hydrazine-1-carboximidothioic acid
Database identifiers
- CAS
6622-87-3- PubChem CID
- 3949952
- DTXSID
DTXSID40984714
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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