Hexadecyl 2-mercaptoacetate
Basic information
- CAS
22811-02-5- Standard SMILES
CCCCCCCCCCCCCCCCOC(=O)CS- InChIKey
WDRMFQRBFDVBPJ-UHFFFAOYSA-N- Molecular formula
- C18H36O2S
- Average molar mass
- 316.5 g/mol
- Monoisotopic mass
- 316.24360156
Overview
complexes with methylmercury cpds; transports these cpds from liver to bile ; structure given in first source
Names & identifiers
- Preferred name
- Hexadecyl 2-mercaptoacetate
- IUPAC
- hexadecyl 2-sulfanylacetate
- English name
- hexadecyl mercaptoacetate
- Molecular formula
- C18H36O2S
- Molecular weight
- 316.54
Names & synonyms
Hexadecyl mercaptoacetate22811-02-50IAT30A3FGAcetic acid, mercapto-, hexadecyl esterDTXSID20177364hexadecylmercaptoacetateRefChem:922906Hexadecyl 2-mercaptoacetateDTXCID6099855245-238-8cetyl thioglycolateUNII-0IAT30A3FG
Show more names
Thioglycollic acid hexadecyl esterMercaptoacetic acid hexadecyl ester
EINECS 245-238-8Hexadecyl sulfanylacetateSCHEMBL9835095WDRMFQRBFDVBPJ-UHFFFAOYSA-NNS00027267ACETIC ACID, 2-MERCAPTO-, HEXADECYL ESTERQ27236824
Database identifiers
- CAS
22811-02-5- PubChem CID
- 89849
- DTXSID
DTXSID20177364- UNII
- 0IAT30A3FG
- EC Number
- 245-238-8
- Nikkaji
- J262.145B
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- FDA UNII
- 0 IAT30A3FG · 0IAT30A3FG
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Related reactions
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Compound notes
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