Basic information
- CAS
6873-87-6- Standard SMILES
CCCCNS(=O)c1ccc(C)cc1- InChIKey
RARIANANGFXCKL-UHFFFAOYSA-N- Molecular formula
- C11H17NOS
- Average molar mass
- 211.33 g/mol
- Monoisotopic mass
- 211.10308534
Names & identifiers
- Preferred name
- n-Butyl-4-methylbenzenesulfinamide
- IUPAC
- N-butyl-4-methylbenzenesulfinamide
Names & synonyms
n-Butyl-4-methylbenzenesulfinamideN-Butyl-p-toluenesulfinylamide6873-87-6N-butyl-4-methylbenzene-1-sulfinamideSCHEMBL28446477DTXSID10343071RARIANANGFXCKL-UHFFFAOYSA-Nn-Butyl-4-methylbenzenesulfinamide #
Database identifiers
- CAS
6873-87-6- PubChem CID
- 587209
- DTXSID
DTXSID10343071- Nikkaji
- J1.839.005A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 48.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 176
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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