Basic information
- CAS
7559-47-9- Standard SMILES
CCCCCCCCCCCCCCCCSS(C)(=O)=O- InChIKey
GIJWOCGDZZKJAD-UHFFFAOYSA-N- Molecular formula
- C17H36O2S2
- Average molar mass
- 336.6 g/mol
- Monoisotopic mass
- 336.21567273
Names & identifiers
- Preferred name
- Methanesulfonic acid, thio-, S-hexadecyl ester
- IUPAC
- 1-methylsulfonylsulfanylhexadecane
- English name
- Hexadecyl Methanethiosulfonate
- Molecular formula
- C17H36O2S2
- Molecular weight
- 336.6
Names & synonyms
Methanesulfonic acid, thio-, S-hexadecyl esterRefChem:10890757559-47-9S-Hexadecyl methanethiosulfonate1-methylsulfonylsulfanylhexadecaneS-Hexadecyl methanesulfonothioateNSC124764NSC 124764BRN 1912441SCHEMBL5464692CHEMBL1970837DTXSID20997024
Show more names
Hexadecyl methanethiosulfonate HexaneMethanethiosulfonic acid S-hexadecyl esterThio-Methanesulfonic Acid S-Hexadecyl EsterMethanesulfonothioic Acid S-Hexadecyl Ester
Methanesulfonic acid, S-hexadecyl esterNSC-124764NCI60_000577
Database identifiers
- CAS
7559-47-9- PubChem CID
- 97458
- DTXSID
DTXSID20997024- ChEMBL
CHEMBL1970837- Nikkaji
- J41.681I
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Melting point
- 61 · 61-63°C
- Boiling point
- 458.4 · 458.4±14.0 °C(Predicted)
- Density
- 0.978 · 0.978±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under Inert Atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Off-White
- Stability
- Water Sensitive
Chemistry & industry
Applications
UsesReacts specifically and rapidly with thiols to form mixed disulfides. Used to probe the structures of the ACh receptor channel of the GABA receptor channel and of lactose permease.
UsesReacts specifically and rapidly with thiols to form mixed disulfides. Hexadecyl Methanethiosulfonate can also been used to probe the structures of the ACh receptor channel of the GABA receptor channel and of lactose permease.
Upstream & downstream products
Upstream raw materials
Suppliers10 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
吉林中科研伸科技有限公司0431-80514535 19917294565 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Xian confluore Biological Technology Co., Ltd.+86-15680926068 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
西安康福诺生物科技有限公司+86-156-80926068 +86-15680926068 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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