Basic information
- CAS
91907-83-4- Standard SMILES
CCCCNC(=O)NSc1ccc(C)cc1- InChIKey
JJXNNIFSJMIJTC-UHFFFAOYSA-N- Molecular formula
- C12H18N2OS
- Average molar mass
- 238.35 g/mol
- Monoisotopic mass
- 238.11398438
Names & identifiers
- Preferred name
- Urea, 1-butyl-3-(p-tolylthio)-
- IUPAC
- 1-butyl-3-(4-methylphenyl)sulfanylurea
Names & synonyms
Urea, 1-butyl-3-(p-tolylthio)-1-Butyl-3-(p-tolylthio)ureaBRN 205270291907-83-4DTXSID90238759RefChem:387600DTXCID90161250SCHEMBL14873157N-Butyl-N'-[(4-methylphenyl)sulfanyl]urea
Database identifiers
- CAS
91907-83-4- PubChem CID
- 3045348
- DTXSID
DTXSID90238759- Nikkaji
- J58.086D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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