Butanoyl chloride, 2-(hexadecylsulfonyl)-3-methyl-
Basic information
- CAS
125331-93-3- Standard SMILES
CCCCCCCCCCCCCCCCS(=O)(=O)C(C(=O)Cl)C(C)C- InChIKey
YFLUGXCGZHNLKM-UHFFFAOYSA-N- Molecular formula
- C21H41ClO3S
- Average molar mass
- 409.1 g/mol
- Monoisotopic mass
- 408.246494
Names & identifiers
- Preferred name
- Butanoyl chloride, 2-(hexadecylsulfonyl)-3-methyl-
- IUPAC
- 2-hexadecylsulfonyl-3-methylbutanoyl chloride
Names & synonyms
Butanoyl chloride, 2-(hexadecylsulfonyl)-3-methyl-125331-93-3DTXSID50888916RefChem:571580DTXCID101028187SCHEMBL8914269YFLUGXCGZHNLKM-UHFFFAOYSA-N2-(HEXADECANE-1-SULFONYL)-3-METHYLBUTANOYL CHLORIDE
Database identifiers
- CAS
125331-93-3- PubChem CID
- 86214
- DTXSID
DTXSID50888916- Nikkaji
- J1.563.163E
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 441
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanoyl chloride, 2-(hexadecylsulfonyl)-3-methyl-: ACTIVE
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Related reactions
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Compound notes
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