Basic information
- Standard SMILES
CNC(=S)NCCSCc1cc(C)c(CN(C)C)o1- InChIKey
XYFJCMXQRYCEFX-UHFFFAOYSA-N- Molecular formula
- C13H23N3OS2
- Average molar mass
- 301.5 g/mol
- Monoisotopic mass
- 301.12825471
Names & identifiers
- Preferred name
- N-[2-[[5-(Dimethylaminomethyl)-4-methyl-2-furanylmethyl]thio]ethyl]-N'-methylthiourea
- IUPAC
- 1-[2-[[5-[(dimethylamino)methyl]-4-methylfuran-2-yl]methylsulfanyl]ethyl]-3-methylthiourea
Names & synonyms
SCHEMBL11254573XYFJCMXQRYCEFX-UHFFFAOYSA-NN-[2-[[5-(Dimethylaminomethyl)-4-methyl-2-furanylmethyl]thio]ethyl]-N'-methylthiourea
Database identifiers
- PubChem CID
- 20570933
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 277
Related reactions
2 records
Compound notes
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