Basic information
- CAS
887352-65-0- Standard SMILES
CS(=O)(=O)SCCNC(=O)c1ccc(C(=O)c2ccccc2)cc1- InChIKey
YIUXLJAIGUUOOX-UHFFFAOYSA-N- Molecular formula
- C17H17NO4S2
- Average molar mass
- 363.5 g/mol
- Monoisotopic mass
- 363.05990002
Names & identifiers
- Preferred name
- Benzophenone-4-carboxamidoethyl Methanethiosulfonate
- IUPAC
- 4-benzoyl-N-(2-methylsulfonylsulfanylethyl)benzamide
- English name
- BENZOPHENONE-4-CARBOXAMIDOETHYL METHANETHIOSULFONATE
- Molecular formula
- C17H17NO4S2
- Molecular weight
- 363.45
Names & synonyms
Benzophenone-4-carboxamidoethyl Methanethiosulfonate887352-65-04-benzoyl-N-(2-methylsulfonylsulfanylethyl)benzamideDTXSID20401050AKOS030240450S-[2-(4-Benzoylbenzamido)ethyl] methanesulfonothioateMethanesulfonothioic acid, S-[2-[(4-benzoylbenzoyl)amino]ethyl] ester
Database identifiers
- CAS
887352-65-0- PubChem CID
- 4229286
- DTXSID
DTXSID20401050
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 527
Physicochemical properties
- Melting point
- 141 · 141-143°C
- Boiling point
- 639.028 · 639.028±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.317 · 1.317±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- DMSO, Methanol
- form
- Solid
- pka
- 13.356 · 13.356±0.46(predicted)
- color
- Off-White to Pale Beige
- Stability
- Reacts with Water - Keep Dry
- CAS DataBase Reference
- 887352 · 887352-65-0
Chemistry & industry
Applications
UsesA membrane permeable, bifunctional conjugate containing a photo reactive benzophenone group,and an MTS function for SH coupling.
Suppliers6 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…